SCHEMBL1723055

SCHEMBL1723055

[CH2]c1cn2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
RAB9A P51151 13/20 0.49
NPC1 O15118 12/20 0.49
KDM4E B2RXH2 7/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
GFER P55789 2/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL31731985 0.77 RAB9A (0.67) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL3313092 0.76 RAB9A (0.65) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL2079932 0.76 PTGS1 (0.58) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL13218389 0.74 PTGS1 (0.52) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL755953 0.74 RAB9A (0.58) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL171008 0.74 PTGS1 (0.52) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL295906 0.74 PIK3CG (0.52) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL794230 0.74 RAB9A (0.58) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL2482387 0.74 PTGS1 (0.52) PTGS1PTGS2RAB9ANPC1KDM4E
SCHEMBL26373838 0.74 PTGS1 (0.52) PTGS1PTGS2RAB9ANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US claimed
EP-2734516-B1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INT (DE) 2015-06-17 EP claimed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US claimed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP claimed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US claimed
EP-1569936-B1 NOVEL SUBSTITUTED IMIDAZO-PYRIDINONES AND IMIDAZO-PYRIDAZEIONES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2009-03-18 EP claimed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO claimed
US-7109192-B2 Substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2006-09-19 US claimed
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-01-27 US claimed
EP-0499521-B1 Inhibitors of N-myristoyltransferase, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1995-06-14 EP claimed
US-5266576-A Anticarcinogenic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US claimed
EP-3601216-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2020-02-05 EP disclosed
WO-2018172852-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2018-09-27 WO disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-01-27 US disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO disclosed
US-5266576-A Anticarcinogenic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US disclosed
US-5266576-A Anticarcinogenic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US disclosed
EP-0499521-A1 Inhibitors of N-myristoyltransferase, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-08-19 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 (3 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 PTGS1 197/4885PTGS2 654/4885RAB9A 939/4885
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 PTGS1 2409/4885PTGS2 3402/4885RAB9A 3603/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 PTGS1 167/4885PTGS2 294/4885RAB9A 3211/4885

“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.