SCHEMBL1491081

SCHEMBL1491081

COc1ccc(-n2nccc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
LMNA P02545 1/20 0.56
CYP2C9 P11712 2/20 0.51
PTGS1 P23219 3/20 0.48
PTGS2 P35354 3/20 0.48
MAPT P10636 2/20 0.48
XDH P47989 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.44
NR3C2 P08235 1/20 0.44
S1PR4 O95977 1/20 0.44
ALDH1A1 P00352 1/20 0.44
S1PR1 P21453 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.44
MAPK14 Q16539 1/20 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
SCHEMBL544605 0.81 POLB (0.58) POLBLMNAMAPTNPC1RAB9A
SCHEMBL3244643 0.79 CYP2C9 (0.52) LMNACYP2C9PTGS1PTGS2MAPT
SCHEMBL1491122 0.79 POLB (0.70) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17910800 0.79 MAPT (0.49) LMNACYP2C9PTGS1PTGS2MAPT
SCHEMBL1491115 0.79 POLB (0.64) POLBLMNACYP2C9MAPTXDH
SCHEMBL15553292 0.78 MAPT (0.48) LMNACYP2C9PTGS1PTGS2MAPT
SCHEMBL1491107 0.77 POLB (0.53) POLBMAPTALDH1A1MAPK1KDM4E
SCHEMBL1491096 0.76 POLB (0.47) POLBMAPTXDHKMT2A
SCHEMBL14548089 0.75 SMN1; SMN2 (0.46) POLBLMNACYP2C9MAPTNPC1
SCHEMBL1247688 0.75 POLB (0.64) POLBLMNAPTGS1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
EP-3013337-B1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC (US) 2018-10-31 EP disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 WO disclosed
WO-2013004617-A1 PYRAZOLOPYRIDINES USEFUL IN THE TREATMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2013-01-10 WO disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 US disclosed
US-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-03 US disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 WO disclosed
US-7195649-B2 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds WELLA AG (DE) 2007-03-27 US disclosed
EP-1562540-B1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2006-08-30 EP disclosed
EP-1562540-A1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2005-08-17 EP disclosed
US-20050081312-A1 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2005-04-21 US disclosed
WO-2004047781-A1 N-ARYL-4,5-DIAMINOPYRAZOLS AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2004-06-10 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 (5 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-20130005743-A1 New positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 POLB 3862/4885LMNA 3278/4885CYP2C9 4610/4885
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R POLB 4782/4885LMNA 4145/4885CYP2C9 1151/4885
US-20050081312-A1 N-aryl-4,5-diaminopyrazoles and dyes containing said compounds KRT18, F12, HCN3 POLB 1807/4885LMNA 116/4885CYP2C9 1189/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 POLB 782/4885LMNA 2550/4885CYP2C9 2672/4885
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 POLB 4087/4885LMNA 2862/4885CYP2C9 879/4885

“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.