SCHEMBL6842210

SCHEMBL6842210

Cc1cnn2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.44
CYP11B2 P19099 7/20 0.44
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM5B Q9UGL1 2/20 0.39
SSTR4 P31391 1/20 0.38
LRRK2 Q5S007 1/20 0.38
NLRP3 Q96P20 1/20 0.37
PDPK1 O15530 1/20 0.35
CDK9 P50750 1/20 0.35
POLQ O75417 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL20861635 0.98 CYP11B1 (0.43) CYP11B1CYP11B2DRD4DRD3KDM5B
SCHEMBL25772023 0.98 CYP11B1 (0.43) CYP11B1CYP11B2DRD4DRD3KDM5B
SCHEMBL13684190 0.94
SCHEMBL19370465 0.79 CYP11B1 (0.35) CYP11B1CYP11B2KDM5BSSTR4
SCHEMBL19432291 0.79 DRD4 (0.39) CYP11B1CYP11B2DRD4DRD3KDM5B
SCHEMBL23104465 0.78 DRD4 (0.38) CYP11B1CYP11B2DRD4DRD3KDM5B
SCHEMBL17045302 0.77 CYP11B1 (0.40) CYP11B1CYP11B2DRD4DRD3KDM5B
SCHEMBL670277 0.76 DRD4 (0.40) CYP11B1CYP11B2DRD4DRD3KDM5B
SCHEMBL18463619 0.75 DRD4 (0.42) CYP11B1CYP11B2DRD4DRD3KDM5B
SCHEMBL20412605 0.75 CYP11B1 (0.44) CYP11B1CYP11B2DRD4DRD3KDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE Université de Montréal (CA) 2024-07-04 US disclosed
WO-2024137329-A1 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
WO-2024044344-A1 PYRIDINYLSULFONAMIDE COMPOUNDS AND THEIR USE IN THERAPY HOTSPOT THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed
WO-2024015251-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-18 WO disclosed
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023217851-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF-κB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
WO-2023141323-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-07-27 WO disclosed
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity GENENTECH, INC. (US) 2023-07-18 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
US-20090118301-A1 Compositions and Methods for Treating Cancer ARBOR VITA CORPORATION (US) 2009-05-07 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 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 (7 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 CYP11B1 149/4885CYP11B2 198/4885DRD4 3622/4885
US-11702428-B2 Chemical compounds as inhibitors of interleukin-1 activity IL1B, IL1A, IL18 CYP11B1 2628/4885CYP11B2 3401/4885DRD4 4788/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CYP11B1 53/4885CYP11B2 105/4885DRD4 2844/4885
US-20090118301-A1 Compositions and Methods for Treating Cancer BRCA1, CA13, CA7 CYP11B1 1722/4885CYP11B2 2073/4885DRD4 4530/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK CYP11B1 721/4885CYP11B2 888/4885DRD4 3808/4885
US-20240217971-A1 PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS USES THEREOF FOR TREATING A PROLIFERATIVE DISEASE BRAF, NRAS, DPYD CYP11B1 2543/4885CYP11B2 2817/4885DRD4 1617/4885
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 CYP11B1 255/4885CYP11B2 213/4885DRD4 1670/4885

“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.