SCHEMBL883719

SCHEMBL883719

CNc1cc(C)nc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.48
NOS2 P35228 2/20 0.48
POLB P06746 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PRKCI P41743 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
NUDT1 P36639 1/20 0.35
TSHR P16473 1/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
TERT O14746 2/20 0.34
EGFR P00533 1/20 0.33
TYK2 P29597 1/20 0.33
LMNA P02545 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
Hydrochloric Acid SCHEMBL28375230 0.97 NOS3 (0.46) NOS3NOS2POLBAPOBEC3GPRKCI
Hydrochloric Acid SCHEMBL28374836 0.97 NOS3 (0.46) NOS3NOS2POLBAPOBEC3GPRKCI
SCHEMBL24003782 0.83 NOS3 (0.40) NOS3NOS2POLBAPOBEC3GALOX15
SCHEMBL19462560 0.83 NOS3 (0.40) NOS3NOS2POLBMAPTCACNA1B
SCHEMBL23841215 0.83 NOS3 (0.40) NOS3NOS2POLBAPOBEC3GALOX15
SCHEMBL23999695 0.83 NOS3 (0.54) NOS3NOS2PRKCIMAPTNUDT1
SCHEMBL30329688 0.83 NOS3 (0.40) NOS3NOS2POLBMAPTCACNA1B
SCHEMBL23432669 0.79 NOS3 (0.39) NOS3NOS2LMNA
SCHEMBL28372968 0.79 NOS3 (0.39) NOS3NOS2TSHRNOS1MAPK1
SCHEMBL26739799 0.79 NOS3 (0.38) NOS3NOS2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-11912682-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912682-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230348418-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2023-11-02 US disclosed
US-20230348418-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2023-11-02 US disclosed
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES Sumitomo Pharma Co., Ltd. (JP) 2023-04-13 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2010-10-21 US disclosed
CN-101679434-A Has 2,6 of anti proliferative properties, the purine derivative that 9-replaces CYCLACEL LTD 2010-03-24 CN disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR NOS3 622/4885NOS2 3160/4885POLB 2552/4885
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS IDO1, IDO2, INMT NOS3 226/4885NOS2 389/4885POLB 4567/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 NOS3 2414/4885NOS2 3401/4885POLB 595/4885
US-20230109839-A1 THERAPEUTIC AGENT FOR TAUOPATHIES MAPT, PSEN1, PSEN2 NOS3 2646/4885NOS2 2915/4885POLB 4130/4885
US-20230348418-A1 ISOINDOLINONE COMPOUNDS CYP4F2, AOC2, AOC3 NOS3 1040/4885NOS2 1682/4885POLB 4022/4885
US-11912682-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 NOS3 1297/4885NOS2 1908/4885POLB 3996/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 NOS3 2145/4885NOS2 2411/4885POLB 4759/4885

“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.