SCHEMBL632993

SCHEMBL632993

NCc1ccc(-c2csnn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 2/20 0.58
NOTUM Q6P988 1/20 0.58
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MPO P05164 1/20 0.46
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
CDC25C P30307 1/20 0.45
PTPN1 P18031 1/20 0.45
MAPT P10636 2/20 0.43

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 SCHEMBL1855124 0.98 KMT2A (0.56) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL16790601 0.85 KMT2A (0.55) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL19900671 0.83 KMT2A (0.78) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL19941393 0.81 KMT2A (0.50) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL6680197 0.81 KMT2A (0.50) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL219769 0.81 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL4573216 0.81 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL95792 0.81 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL179124 0.81 KMT2A (0.63) KMT2ARAB9ANPC1MEN1SMN1; SMN2
SCHEMBL95791 0.81 KMT2A (0.58) KMT2ARAB9ANPC1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1412328-B1 DOLASTATIN 10 DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-10-04 EP claimed
US-6989402-B1 Thyroid receptor ligands and method II KARO BIO AB (SE) 2006-01-24 US claimed
US-20050282872-A1 Novel thyroid receptor ligands and method II HANGELAND JON 2005-12-22 US claimed
US-6737409-B2 FOR CANCER THERAPY HOFFMANN-LA ROCHE INC. 2004-05-18 US claimed
US-20030055002-A1 Dolastatin 10 derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US claimed
US-12613191-B2 Multiplexed Raman molecular imaging UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2026-04-28 US disclosed
EP-4069697-B1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2025-07-16 EP disclosed
US-20240085335-A1 MULTIPLEXED RAMAN MOLECULAR IMAGING UNIVERSITY OF SOUTHERN CALIFORNIA 2024-03-14 US disclosed
US-20230065034-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-03-02 US disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US disclosed
EP-1181266-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES Celltech R&D Limited (GB) 2002-02-27 EP disclosed
WO-2002004403-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-17 WO disclosed
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed
WO-2000073260-A1 SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES CELLTECH R&D LIMITED (GB) 2000-12-07 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 (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-20230065034-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE CRHR1, CRH, CRHR2 KMT2A 4183/4885RAB9A 2959/4885NPC1 801/4885
US-12613191-B2 Multiplexed Raman molecular imaging FABP1, SCNN1G, VIL1 KMT2A 4160/4885RAB9A 2417/4885NPC1 2480/4885
US-20030055002-A1 Dolastatin 10 derivatives DAD1, DDOST, NPC1 KMT2A 4793/4885RAB9A 779/4885NPC1 3/4885
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 KMT2A 2379/4885RAB9A 4376/4885NPC1 63/4885
US-20050282872-A1 Novel thyroid receptor ligands and method II TSHR, THRB, THRA KMT2A 3709/4885RAB9A 3440/4885NPC1 1089/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL KMT2A 4487/4885RAB9A 2748/4885NPC1 2838/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP KMT2A 4285/4885RAB9A 2543/4885NPC1 2244/4885

“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.