SCHEMBL248016

SCHEMBL248016

Fc1ccc(C(F)F)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
VCP P55072 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
KIF11 P52732 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DPP4 P27487 1/20 0.33
PFKFB3 Q16875 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ADRB2 P07550 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL30726196 1.00 PARP1 (0.40) PARP1VCPTRPV4KIF11KDM4E
SCHEMBL8243510 0.84 PARP1 (0.42) PARP1VCPRXRAGRIN1GRIN2B
SCHEMBL31550151 0.84 PARP1 (0.42) PARP1VCPRXRAGRIN1GRIN2B
SCHEMBL4444491 0.82 PARP1 (0.41) PARP1VCPKDM4EDPP4PFKFB3
SCHEMBL3864260 0.81 PARP1 (0.39) PARP1VCPPFKFB3RXRAGRIN1
SCHEMBL29453127 0.81 KDM1A (0.38) TRPV4KIF11DPP4ADRB2CYP1A2
SCHEMBL11213329 0.81 PARP1 (0.37) PARP1VCPKDM4EDPP4CYP1A2
SCHEMBL14831424 0.81 KDM1A (0.38) TRPV4KIF11DPP4ADRB2CYP1A2
SCHEMBL8220975 0.80 UGT2B7 (0.44) PARP1KDM4EADRB2CYP1A2CYP2D6
SCHEMBL7563537 0.80 ADRB2 (0.45) PARP1VCPDPP4PFKFB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12479826-B2 Pyridazinyl amino derivatives as ALK5 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-11-25 US disclosed
EP-4558493-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE Iambic Therapeutics, Inc. (US) 2025-05-28 EP disclosed
WO-2025059417-A1 INHIBITING HUMAN INTEGRIN α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-03-20 WO disclosed
EP-4182308-B1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-09-04 EP disclosed
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. 2024-03-21 US disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-18 US disclosed
EP-4182308-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-05-24 EP disclosed
CN-116096719-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-09 CN disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed
WO-2009103007-A2 STEROID HORMONE RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-08-20 WO disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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 (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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 PARP1 4189/4885VCP 1710/4885TRPV4 298/4885
US-20240092761-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE CCNI, CDK3, CDK1 PARP1 820/4885VCP 3894/4885TRPV4 4807/4885
US-20240018122-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS ALK, TGFBR1, ACVR1 PARP1 2839/4885VCP 4195/4885TRPV4 2465/4885
US-12479826-B2 Pyridazinyl amino derivatives as ALK5 inhibitors ALK, TGFBR1, ACVR1 PARP1 2839/4885VCP 4195/4885TRPV4 2465/4885

“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.