SCHEMBL1303393

SCHEMBL1303393

CCNC(=O)Nc1nc2ccc(Br)cc2s1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
DYRK1A Q13627 1/20 0.69
ABL1 P00519 9/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
PIK3CA P42336 1/20 0.58
PIK3CG P48736 1/20 0.58
PIK3CD O00329 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
CLK1 P49759 1/20 0.56

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
SCHEMBL3657208 0.90 DYRK1A (0.69) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL1302829 0.86 RAB9A (0.64) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL14189671 0.85 ABL1 (0.70) RAB9ANPC1DYRK1AABL1SMN1; SMN2
SCHEMBL6067997 0.85 DYRK1A (0.71) RAB9ANPC1DYRK1AABL1SMN1; SMN2
SCHEMBL1783377 0.85 RAB9A (0.74) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL6068168 0.84 ABL1 (0.71) RAB9ANPC1ABL1SMN1; SMN2PIK3CA
SCHEMBL1302984 0.84 ABL1 (0.65) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL22208373 0.84 RAB9A (0.72) RAB9ANPC1CYP1A2CYP3A4CYP2C9
SCHEMBL4496509 0.83 NPC1 (0.69) RAB9ANPC1ABL1SMN1; SMN2PIK3CA
SCHEMBL6068142 0.83 GSK3B (0.67) RAB9ANPC1DYRK1AABL1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053574-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-20100197682-A1 Organic Compounds NOVARTIS AG 2010-08-05 US disclosed
US-7091227-B2 Benzothiazole derivatives ABBOTT GMBH & CO. KG (DE) 2006-08-15 US disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 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 (2 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-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 RAB9A 3285/4885NPC1 3594/4885CYP1A2 1116/4885
US-20100197682-A1 Organic Compounds PIK3CA, PI4KA, PI4KB RAB9A 2332/4885NPC1 1077/4885CYP1A2 3923/4885

“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.