SCHEMBL2995646

SCHEMBL2995646

CCCCCc1cccnc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
KCNH2 Q12809 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
GRM5 P41594 1/20 0.40
TYR P14679 1/20 0.40
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
TLR8 Q9NR97 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39

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
SCHEMBL30720899 1.00 TDP1 (0.46) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL29924070 0.98 LIPG (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL27289182 0.98 LIPG (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL10516875 0.98 LIPG (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL19997559 0.98 LIPG (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL27705194 0.98 LIPG (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
SCHEMBL4302902 0.98 LIPG (0.49) TDP1L3MBTL1LIPGKCNH2ALOX5
Hydrochloric Acid SCHEMBL30610141 0.96 LIPG (0.47) TDP1L3MBTL1LIPGKCNH2ALOX5
Bromide SCHEMBL28785251 0.96 LIPG (0.47) TDP1L3MBTL1LIPGKCNH2ALOX5
Hydrochloric Acid SCHEMBL28621348 0.96 LIPG (0.47) TDP1L3MBTL1LIPGKCNH2ALOX5

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-1373209-B1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL SCIENT IND RES (IN) 2010-09-22 EP claimed
EP-1373209-A1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-02 EP claimed
US-6492524-B1 SYNTHESIS OF AN ARYL PYRIDINE BASE SAID PROCESS COMPRISING REACTING AN AROMATIC ALDEHYDE OR KETONE OF THE FORMULA R.SUB.1 COR.SUB.2 WHEREIN R.SUB.1 IS PHENYL OR ALKYL PHENYL, R.SUB.2 IS ALKYL WITH 1 TO 2 CARBON ATOMS WITH AN ACROLEIN OR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-12-10 US claimed
WO-2002079161-A1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO claimed
CN-110381738-B Pesticidal and parasiticidal vinyl isoxazoline compounds 勃林格殷格翰动物保健美国公司 2021-07-16 CN disclosed
CN-111194316-A Pesticidal and parasiticidal pyrazole-isoxazoline compounds 勃林格殷格翰动物保健美国公司 2020-05-22 CN disclosed
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
EP-1373209-B1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL SCIENT IND RES (IN) 2010-09-22 EP disclosed
EP-1373209-A1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-02 EP disclosed
US-6492524-B1 SYNTHESIS OF AN ARYL PYRIDINE BASE SAID PROCESS COMPRISING REACTING AN AROMATIC ALDEHYDE OR KETONE OF THE FORMULA R.SUB.1 COR.SUB.2 WHEREIN R.SUB.1 IS PHENYL OR ALKYL PHENYL, R.SUB.2 IS ALKYL WITH 1 TO 2 CARBON ATOMS WITH AN ACROLEIN OR COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-12-10 US disclosed
WO-2002079161-A1 A PROCESS FOR THE SYNTHESIS OF AN ARYL PYRIDINE BASE USING A ZEOLITE CATALYST COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
US-5478828-A Anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-12-26 US disclosed
US-5387593-A Anxiolytic agents BRISTON-MYERS SQUIBB (US) 1995-02-07 US disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP disclosed
US-4897484-A DIAZOTIZATION, CYCLIZATION, AROMATIZATION CIBA-GEIGY CORPORATION (US) 1990-01-30 US 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-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS BMP1, BMP4, BMPR2 TDP1 4064/4885L3MBTL1 844/4885LIPG 4479/4885

“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.