SCHEMBL5374696

SCHEMBL5374696

CCn1nc(C(F)(F)F)c(C)c1OCC(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL5377985 0.87
SCHEMBL5371489 0.84 MPO (0.38) MEN1CYP2C19KMT2AKDM4E
SCHEMBL5369514 0.79 LMNA (0.36) MEN1KMT2APTGS1PTGS2
SCHEMBL5378313 0.79
SCHEMBL5374664 0.77 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL5374686 0.75 MPO (0.33) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL15334767 0.74 KDM4E (0.37) KDM4ERECQL
SCHEMBL25618882 0.73 KDM4E (0.33) KDM4ERECQL
SCHEMBL5369504 0.72 KDM4E (0.36) KDM4ERECQL
SCHEMBL16809896 0.72 KDM4E (0.36) KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1541561-B1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2014-07-23 EP disclosed
US-20070249844-A1 Pyrazole derivatives and process for the production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-10-25 US disclosed
US-7256298-B2 Pyrazole derivatives and process for the production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-08-14 US disclosed
US-20050215797-A1 Pyrazole derivatives and process for the production thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-09-29 US disclosed
EP-1541561-A1 PYRAZOLE DERIVATIVES AND PROCESS FOR THE PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-06-15 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 (2 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-20070249844-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 MEN1 4541/4885CYP1A2 29/4885CYP2C19 48/4885
US-20050215797-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 MEN1 4541/4885CYP1A2 29/4885CYP2C19 48/4885

“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.