SCHEMBL3122203

SCHEMBL3122203

Cc1nc2c(c(=O)[nH]1)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
PARP15 Q460N3 1/20 0.59
PARP3 Q9Y6F1 1/20 0.59
HPGD P15428 7/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 2/20 0.52
CYP1A2 P05177 2/20 0.50
HIF1A Q16665 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP13 P45452 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TNKS O95271 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
SCHEMBL10150407 0.96 PARP1 (0.59) PARP1PARP15PARP3HPGDMAPT
SCHEMBL18711836 0.88 PARP1 (0.62) PARP1PARP15PARP3HPGDMAPT
SCHEMBL30850282 0.77 PARP1 (0.56) PARP1PARP15PARP3HPGDMAPT
SCHEMBL3425926 0.76 HPGD (0.53) PARP1HPGDMAPTNPC1RAB9A
SCHEMBL15599438 0.76 HPGD (0.53) PARP1HPGDMAPTNPC1RAB9A
SCHEMBL10568181 0.76 HPGD (0.53) PARP1HPGDMAPTNPC1RAB9A
SCHEMBL12030971 0.76 MAPT (0.53) PARP1HPGDMAPTNPC1RAB9A
SCHEMBL3517604 0.76 TNKS (0.49) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31128640 0.76 HPGD (0.49) PARP1HPGDMAPTNPC1RAB9A
SCHEMBL12050029 0.76 POLB (0.52) HPGDMAPTNPC1RAB9ASMN1; 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024173343-A1 COMPOUNDS TARGETING HYDROXYSTEROID 17-BETA DEHYDROGENASE (HSD17B) AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-08-22 WO disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
WO-2015169421-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-12 WO disclosed
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
EP-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
US-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
EP-1230225-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-08-14 EP disclosed
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 EP disclosed
WO-2001032632-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 WO disclosed
EP-0610439-B1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1999-12-15 EP disclosed
EP-0610439-A1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-17 EP disclosed
US-5234936-A Treating hypertension, congestive heart failure, hyperlipidemia and hypercholesterolemia AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-10 US disclosed
WO-1993008171-A1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 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 (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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX PARP1 360/4885PARP15 167/4885PARP3 297/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PARP1 387/4885PARP15 187/4885PARP3 348/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR PARP1 2611/4885PARP15 1362/4885PARP3 1068/4885

“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.