SCHEMBL8280422

SCHEMBL8280422

CCc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 3/20 0.45
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
DDAH1 O94760 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL10123593 0.84 POLB (0.49) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL12877465 0.82 TGFBR1 (0.42) NPC1RAB9AADORA1KDM4EALDH1A1
SCHEMBL15134752 0.82 NISCH (0.41) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL11983462 0.81 NPC1 (0.50) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL12877694 0.80 MAPK1 (0.41) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL16509738 0.80 BTK (0.47) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL384952 0.79 NPC1 (0.61) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL20163117 0.79 NPC1 (0.48) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28952654 0.79 NPC1 (0.48) L3MBTL1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL16637043 0.78 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2TP53

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-8268871-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-09-18 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-7368467-B2 Calcium channel modulators 2-(alkyl or (hetero)arylalkylthio)-imidazoles and S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders WYETH (US) 2008-05-06 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20080090891-A1 ION CHANNEL MODULATORS WYETH (US) 2008-04-17 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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 (6 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 L3MBTL1 3558/4885POLB 4663/4885NPC1 325/4885
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G L3MBTL1 1169/4885POLB 4760/4885NPC1 2407/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C L3MBTL1 4349/4885POLB 4203/4885NPC1 3670/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 L3MBTL1 3042/4885POLB 334/4885NPC1 512/4885
US-20070208064-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 L3MBTL1 3558/4885POLB 4663/4885NPC1 325/4885
US-20080090891-A1 ION CHANNEL MODULATORS CACNA1B, CACNA1C, TRPV1 L3MBTL1 3558/4885POLB 4663/4885NPC1 325/4885

“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.