SCHEMBL789571

SCHEMBL789571

[C]1=Nc2ccccc2CN1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.31
PNMT P11086 1/20 0.31
CD44 P16070 1/20 0.31
MAOB P27338 1/20 0.31
HTR2C P28335 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
SCHEMBL10973923 0.79 NOS3 (0.31) NOS3NOS1NOS2NPC1HPGD
SCHEMBL1386104 0.71 PNMT (0.38) NOS3NOS1NOS2NPC1HPGD
SCHEMBL819265 0.65
SCHEMBL20049 0.65
SCHEMBL1414242 0.64 NOS3 (0.48) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL23497964 0.62 NOS3 (0.33) NOS3NOS1NOS2NPC1HPGD
SCHEMBL7532560 0.62 NOS3 (0.33) NOS3NOS1NOS2NPC1HPGD
SCHEMBL1398081 0.62 TRPA1 (0.41) NOS3NOS1NOS2NPC1HPGD
SCHEMBL224492 0.62 NOS3 (0.42) NOS3NOS1NOS2NPC1HPGD
SCHEMBL7439508 0.62 NOS3 (0.33) NOS3NOS1NOS2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
CN-117466873-A Pyrimidine compound and application thereof in medicines 广东东阳光药业股份有限公司 2024-01-30 CN claimed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US claimed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP claimed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
US-7732604-B2 Triazolopyrazine derivatives PFIZER INC. (US) 2010-06-08 US claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP claimed
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2010-04-29 US claimed
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
US-20030139398-A1 Quinazoline and quinazoline-like compounds for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-24 US claimed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US claimed
WO-2002081467-A1 QUINAZOLINE AND QUINAZOLINE-LIKE COMPOUNDS FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-10-17 WO claimed
EP-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP claimed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US claimed
EP-1053224-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT Aventis Pharma Deutschland GmbH (DE) 2000-11-22 EP claimed
WO-1999040064-A1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-08-12 WO claimed
WO-1998007742-A1 SULFONAMIDES ZENECA LIMITED (GB) 1998-02-26 WO claimed

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

For each of this compound's patents that has machine-readable text (8 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-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 NOS3 3239/4885NOS1 3626/4885NOS2 3791/4885
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 NOS3 1264/4885NOS1 1917/4885NOS2 1167/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 NOS3 2624/4885NOS1 2472/4885NOS2 2466/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC NOS3 76/4885NOS1 132/4885NOS2 74/4885
US-20030139398-A1 Quinazoline and quinazoline-like compounds for the treatment of integrin-mediated disorders ITGB2, ITGB5, ITGB3 NOS3 1970/4885NOS1 2108/4885NOS2 2160/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOS3 267/4885NOS1 465/4885NOS2 225/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NOS3 17/4885NOS1 29/4885NOS2 12/4885
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES JAK2, ABL1, CCND2 NOS3 1898/4885NOS1 2990/4885NOS2 2441/4885

“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.