SCHEMBL7602050

SCHEMBL7602050

CC(C)Cc1cn(C(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.38
DDX3X O00571 3/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PTGS2 P35354 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20438736 0.84 CYP19A1 (0.36) CYP19A1DDX3XNOS3NOS1NOS2
SCHEMBL22856966 0.84 CYP19A1 (0.36) CYP19A1DDX3XNOS3NOS1NOS2
SCHEMBL20711257 0.84 CYP19A1 (0.36) CYP19A1
SCHEMBL7651892 0.81 CYP19A1 (0.42) CYP19A1
SCHEMBL17886112 0.80 CYP19A1 (0.42) CYP19A1DDX3XNOS3NOS1NOS2
SCHEMBL20225135 0.80 CYP19A1 (0.33) CYP19A1DDX3X
SCHEMBL23811156 0.79 CYP19A1 (0.38) CYP19A1ITGB2ICAM1ITGAL
SCHEMBL20729505 0.79 NOTUM (0.43) CYP19A1
SCHEMBL12364357 0.79 CYP19A1 (0.38) CYP19A1
SCHEMBL16884145 0.79 NOTUM (0.44) CYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827703-B2 Compositions and methods related to anti-CD19 antibody drug conjugates LEGOCHEM BIOSCIENCES, INC. (KR) 2023-11-28 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-11814341-B2 Non-peptidic cell-penetrating motifs OHIO STATE INNOVATION FOUNDATION (US) 2023-11-14 US disclosed
WO-2023194414-A1 POLYDOPAMINE CO-POLYMER NANOPARTICLES CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-10-12 WO disclosed
US-20230270868-A1 PYRROLOBENZODIAZEPINE DIMER PRODRUG AND LIGAND-LINKER CONJUGATE COMPOUND OF THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-08-31 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES LYCIA THERAPEUTICS, INC. 2023-08-10 US disclosed
US-11707533-B2 Antibody-drug conjugate comprising antibody against human ROR1 and use for the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-07-25 US disclosed
US-20170095576-A1 COMPOUNDS COMPRISING SELF-IMMOLATIVE GROUP LEGOCHEM BIOSCIENCES, INC. (KR) 2017-04-06 US disclosed
US-20170088614-A1 COMPOSITIONS AND METHODS RELATED TO ANTI-CD19 ANTIBODY DRUG CONJUGATES LEGOCHEM BIOSCIENCES, INC. (KR) 2017-03-30 US disclosed
US-20170088621-A1 COMPOSITIONS AND METHODS RELATED TO ANTI-EGFR ANTIBODY DRUG CONJUGATES LEGOCHEM BIOSCIENCES, INC. (KR) 2017-03-30 US disclosed
US-20160333068-A1 COMPOSITIONS AND METHODS FOR IMAGING CANCER BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2016-11-17 US disclosed
US-20160184451-A1 COMPOUNDS COMPRISING SELF-IMMOLATIVE GROUP LIGACHEM BIOSCIENCES INC. (KR) 2016-06-30 US disclosed
US-8198364-B2 Poly (vinyl alcohol) polymers, uses and preparation thereof VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2012-06-12 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100038297-A1 Poly (Vinyl Alcohol) Polymers, Uses and Preparation Thereof UNIVERSITE DE MONTREAL (CA) 2010-02-18 US disclosed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 CYP19A1 4068/4885DDX3X 2814/4885NOS3 4879/4885
US-11707533-B2 Antibody-drug conjugate comprising antibody against human ROR1 and use for the same RORA, RORB, RORC CYP19A1 961/4885DDX3X 2779/4885NOS3 4822/4885
US-20170088621-A1 COMPOSITIONS AND METHODS RELATED TO ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 CYP19A1 793/4885DDX3X 4169/4885NOS3 1055/4885
US-20160184451-A1 COMPOUNDS COMPRISING SELF-IMMOLATIVE GROUP IAPP, IDE, DNPEP CYP19A1 4142/4885DDX3X 2353/4885NOS3 3310/4885
US-20170088614-A1 COMPOSITIONS AND METHODS RELATED TO ANTI-CD19 ANTIBODY DRUG CONJUGATES CD47, CD22, BCL6 CYP19A1 326/4885DDX3X 2413/4885NOS3 973/4885
US-11814341-B2 Non-peptidic cell-penetrating motifs TIMM50, TIMM10, PITRM1 CYP19A1 4637/4885DDX3X 996/4885NOS3 3325/4885
US-20170095576-A1 COMPOUNDS COMPRISING SELF-IMMOLATIVE GROUP IAPP, IDE, DNPEP CYP19A1 4398/4885DDX3X 1490/4885NOS3 3984/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT CYP19A1 2307/4885DDX3X 917/4885NOS3 1948/4885
US-20100038297-A1 Poly (Vinyl Alcohol) Polymers, Uses and Preparation Thereof PUF60, VCL, PARG CYP19A1 3140/4885DDX3X 3677/4885NOS3 2713/4885
US-20160333068-A1 COMPOSITIONS AND METHODS FOR IMAGING CANCER SSTR1, SSTR3, SSTR5 CYP19A1 853/4885DDX3X 2175/4885NOS3 2564/4885
US-11827703-B2 Compositions and methods related to anti-CD19 antibody drug conjugates CD22, CD47, BCR CYP19A1 1188/4885DDX3X 1648/4885NOS3 4424/4885
US-20230270868-A1 PYRROLOBENZODIAZEPINE DIMER PRODRUG AND LIGAND-LINKER CONJUGATE COMPOUND OF THE SAME BCR, PIN1, PAICS CYP19A1 553/4885DDX3X 4431/4885NOS3 4597/4885
US-20230250091-A1 ASGPR CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES ASGR1, LAMP2, FCGR2A CYP19A1 4765/4885DDX3X 2893/4885NOS3 4760/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 CYP19A1 1649/4885DDX3X 4068/4885NOS3 359/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.