SCHEMBL4704985

SCHEMBL4704985

NNc1cccc(C(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
IDO1 P14902 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
TDO2 P48775 1/20 0.42
NOS1 P29475 1/20 0.40
RET P07949 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL3212822 0.83 GRIN2D (0.51) LMNATDP1IDO1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL122953 0.81 GRIN2D (0.50) LMNATDP1IDO1CYP1A2CYP3A4
Bromide SCHEMBL20984918 0.81 GRIN2D (0.50) LMNATDP1IDO1CYP1A2CYP3A4
SCHEMBL16838141 0.78 TSHR (0.42) LMNATDO2RETMEN1KMT2A
SCHEMBL23641249 0.76 HDAC4 (0.49) LMNATDP1IDO1CYP1A2CYP3A4
SCHEMBL219895 0.75 TDP1 (0.61) LMNATDP1IDO1CYP1A2CYP3A4
SCHEMBL1538725 0.75 PGK1 (0.48) TDP1CYP3A4GRIN1GRIN2BKDM4E
SCHEMBL17311397 0.75 KMT2A (0.58) LMNAIDO1CYP1A2MEN1KMT2A
SCHEMBL3430494 0.75 MEN1 (0.51) LMNAMEN1KMT2AGRIN2DGRIN3B
SCHEMBL3430016 0.75 CYP3A4 (0.52) LMNATDP1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464248-B1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES Bayer Pharma AG (DE) 2021-09-08 EP disclosed
US-11040035-B2 3-oxo-2,6-diphenyl-2,3-dihydropyridazine-4-carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-22 US disclosed
WO-2021064077-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed
EP-3800188-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS Bayer AG (DE) 2021-04-07 EP disclosed
EP-3800188-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS Bayer AG (DE) 2021-04-07 EP disclosed
US-20200237757-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-07-30 US disclosed
WO-2013096744-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-06-27 WO disclosed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 LMNA 1562/4885TDP1 3017/4885IDO1 1625/4885
US-11040035-B2 3-oxo-2,6-diphenyl-2,3-dihydropyridazine-4-carboxamides AHR, HRH2, HRH4 LMNA 4083/4885TDP1 2942/4885IDO1 7/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 LMNA 2720/4885TDP1 3996/4885IDO1 1195/4885
US-20200237757-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES AHR, HRH2, HRH4 LMNA 4083/4885TDP1 2942/4885IDO1 7/4885

“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.