SCHEMBL2514239

SCHEMBL2514239

O=C(O)c1ccn(Cc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
AKR1B1 P15121 1/20 0.50
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KLKB1 P03952 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
NOTUM Q6P988 1/20 0.44
CYP19A1 P11511 2/20 0.43
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4155873 0.86 CYP2C19 (0.53) CYP2C19AKR1B1CA12CA1CA2
SCHEMBL4670870 0.86 CYP2C19 (0.53) CYP2C19AKR1B1KDM5AKDM4CKDM5B
SCHEMBL27947884 0.84 SMN1; SMN2 (0.47) CYP2C19KLKB1KMT2AMEN1CYP19A1
SCHEMBL10296127 0.84 MAPT (0.53) CYP2C19AKR1B1CA12CA1CA2
SCHEMBL4611670 0.82 CES1 (0.50) CYP2C19AKR1B1KDM5AKDM4CKDM5B
SCHEMBL10590280 0.82 TSHR (0.50) CYP2C19AKR1B1CA1CA2KLKB1
SCHEMBL29709490 0.80 CYP19A1 (0.52) CA1CA2KMT2AMEN1CYP19A1
SCHEMBL7184197 0.80 FEN1 (0.54) CYP2C19AKR1B1CA12CA1CA2
SCHEMBL4674497 0.79 CYP2C19 (0.47) CYP2C19AKR1B1KDM5AKDM4CKDM5B
SCHEMBL4674501 0.79 CYP2C19 (0.47) CYP2C19AKR1B1KDM5AKDM4CKDM5B

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 EP disclosed
WO-2022093800-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 WO disclosed
CN-104761557-B Hexahydro-1H-pyrrolo[3,4-d]pyrimidine compound and preparation method thereof 河南师范大学 2017-02-22 CN disclosed
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
CN-101541801-A Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2009-09-23 CN disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-2049541-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-04-22 EP disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
EP-0603557-B1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM CO (US) 1997-07-30 EP disclosed
US-5461126-A Process of polymerizing olefins using organonickel catalyst compositions PHILLIPS PETROLEUM COMPANY (US) 1995-10-24 US disclosed
US-5332708-A Ethylene polymerization catalyst, organonickel compound and a heterocyclic nitrogen compound PHILLIPS PETROLEUM COMPANY (US) 1994-07-26 US disclosed
EP-0603557-A1 Catalyst compositions and catalytic processes PHILLIPS PETROLEUM COMPANY (US) 1994-06-29 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 CYP2C19 164/4885AKR1B1 1001/4885KDM5A 953/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 CYP2C19 164/4885AKR1B1 1001/4885KDM5A 953/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 CYP2C19 164/4885AKR1B1 1001/4885KDM5A 953/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 CYP2C19 236/4885AKR1B1 990/4885KDM5A 1028/4885

“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.