SCHEMBL831023

SCHEMBL831023

CC(C)Cc1ccnc(N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.62
NOS2 P35228 5/20 0.62
NOS1 P29475 4/20 0.62
GABRA1 P14867 3/20 0.50
GABRB2 P47870 3/20 0.50
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL12633376 0.85 NOS2 (0.58) NOS3NOS2NOS1GABRA1GABRB2
SCHEMBL11818312 0.83 NOS3 (0.61) NOS3NOS2NOS1GABRA1GABRB2
SCHEMBL11809448 0.81 NOS3 (0.58) NOS3NOS2NOS1GABRA1GABRB2
SCHEMBL6560519 0.79 GABRA1 (0.42) NOS3NOS2NOS1GABRA1GABRB2
SCHEMBL23836653 0.79 NOS3 (0.41) NOS3NOS2NOS1GABRA1GABRB2
SCHEMBL18469882 0.78 NOS3 (0.55) NOS3NOS2NOS1GABRA1GABRB2
SCHEMBL487712 0.78 UHRF1 (0.46) NOS3NOS2NOS1GABRA1GABRB2
SCHEMBL91489 0.77
SCHEMBL13899674 0.77 NOS3 (0.53) NOS3NOS2NOS1GABRA1GABRB2
SCHEMBL14510525 0.77 NOS3 (0.53) NOS3NOS2NOS1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767341-B2 Lincosamide antibiotics and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-09-26 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20210363143-A1 PYRIDO-IMIDAZO RIFAMYCINS BIOFER S.P.A. (IT) 2021-11-25 US disclosed
US-11028086-B2 Pyrido-imidazo rifamycins BIOFER S.P.A. (IT) 2021-06-08 US disclosed
US-20200157104-A1 PYRIDO-IMIDAZO RIFAMYCINS BIOFER S.P.A. (IT) 2020-05-21 US disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 US disclosed
WO-2020027304-A1 NOVEL CAROTENOID-RELATED DERIVATIVES, AND SALTS, ESTERS, OR AMIDES THEREOF アスタファーマシューティカルズ株式会社 2020-02-06 WO disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 US disclosed
WO-2019032936-A1 LINCONSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT ADN FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed
US-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
WO-2006014762-A1 SUBSTITUTED AMIDE BETA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-02-09 WO 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 (11 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD NOS3 3183/4885NOS2 4131/4885NOS1 3992/4885
US-11767341-B2 Lincosamide antibiotics and uses thereof LNPEP, LCLAT1, NPEPPS NOS3 2958/4885NOS2 2859/4885NOS1 1833/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NOS3 612/4885NOS2 3170/4885NOS1 3493/4885
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R NOS3 1921/4885NOS2 2679/4885NOS1 2677/4885
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC NOS3 4573/4885NOS2 4707/4885NOS1 4763/4885
US-11028086-B2 Pyrido-imidazo rifamycins RIF1, IPO4, PIR NOS3 3571/4885NOS2 3011/4885NOS1 3517/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK NOS3 3190/4885NOS2 3813/4885NOS1 4014/4885
US-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 NOS3 3341/4885NOS2 4219/4885NOS1 4784/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 NOS3 2072/4885NOS2 1543/4885NOS1 2008/4885
US-20210363143-A1 PYRIDO-IMIDAZO RIFAMYCINS RIF1, IPO4, PIR NOS3 3571/4885NOS2 3011/4885NOS1 3517/4885
US-20200157104-A1 PYRIDO-IMIDAZO RIFAMYCINS RIF1, IPO4, PIR NOS3 3571/4885NOS2 3011/4885NOS1 3517/4885

“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.