SCHEMBL1015226

SCHEMBL1015226

[c]1n[nH]cc1-c1csnn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4670402 0.69
SCHEMBL4452760 0.61 CYP1A2 (0.33) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL6919080 0.57 ADORA3 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL30661946 0.56 KDM4E (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL445070 0.56 KMT2A (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL69349 0.56 KMT2A (0.91) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3254014 0.55 KMT2A (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL752833 0.55 NISCH (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL28929770 0.54 KMT2A (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1967310 0.54 IDO1 (0.38) KMT2AMEN1NPC1RAB9ASMN1; 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531511-B1 N-methyl aspartate receptor antagonist VERNALIS RESEARCH LIMITED (GB) 2003-03-11 US claimed
WO-1998010653-A1 PIPERIDINES, PYRROLIDINES AND HEXAHYDRO-1H-AZEPINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1998-03-19 WO claimed
WO-1997036873-A1 PIPERIDINES, PYRROLIDINES AND HEXAHYDRO-1H-AZEPINES PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1997-10-09 WO claimed
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
EP-1844070-B1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
EP-2089368-B1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
US-7803816-B2 MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1919878-B1 PYRIDAZINONE DERIVATIVES AS THYROID HORMONE RECEPTOR AGONISTS HOFFMANN LA ROCHE (CH) 2010-09-08 EP disclosed
US-7652053-B2 Diaminocycloalkane MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-20040039200-A1 Pirazino(AZA)indole derivatives VERNALIS RESEARCH LIMITED 2004-02-26 US disclosed
EP-1147110-B1 PYRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RES LTD (GB) 2003-05-07 EP disclosed
US-6531511-B1 N-methyl aspartate receptor antagonist VERNALIS RESEARCH LIMITED (GB) 2003-03-11 US disclosed
EP-1147110-A1 PYRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RESEARCH LIMITED (GB) 2001-10-24 EP disclosed
EP-1143964-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2001-10-17 EP disclosed
WO-2000044371-A1 2-ADAMANTANEMETHANAMINE COMPOUNDS FOR TREATING ABNORMALITIES IN GLUTAMATERGIC TRANSMISSION VERNALIS RESEARCH LIMITED (GB) 2000-08-03 WO disclosed
WO-2000044753-A1 PIRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RESEARCH LIMITED (GB) 2000-08-03 WO disclosed
EP-1006112-A1 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers Cerebrus Pharmaceuticals Limited (GB) 2000-06-07 EP disclosed
EP-1006108-A1 3-Hydroxy-2(1H)-pyridinone or 3-hydroxy-4(1H)-pyridinone derivatives useful as reactive oxygen species (ROS) scavengers Cerebrus Pharmaceuticals Limited (GB) 2000-06-07 EP 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 (1 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-20040039200-A1 Pirazino(AZA)indole derivatives PIR, GPR119, INMT KMT2A 1272/4885MEN1 368/4885NPC1 1382/4885

“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.