SCHEMBL5370184

SCHEMBL5370184

CCCn1nc(C(F)(F)F)c(C)c1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
LMNA P02545 1/20 0.30
ESR1 P03372 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
SCHEMBL5382745 0.90 NR1H3 (0.36) KDM4ERECQLTDP1LMNAESR1
SCHEMBL5369504 0.85 KDM4E (0.36) KDM4ERECQLTDP1ADORA2AADORA2B
SCHEMBL23399267 0.84 ADORA2A (0.33) ADORA2AADORA2BESR1
SCHEMBL13741415 0.75 ADORA2A (0.46) ADORA2AADORA2BESR1
SCHEMBL5393593 0.75 POLB (0.36) KDM4ERECQLLMNA
SCHEMBL23401528 0.74 NR1H3 (0.36) ESR1
SCHEMBL5377985 0.73
SCHEMBL23402950 0.72 GAA (0.41) ADORA2AADORA2BESR1
SCHEMBL23398975 0.70 ADORA2A (0.34) ADORA2AADORA2BESR1
SCHEMBL15334767 0.69 KDM4E (0.37) KDM4ERECQLTDP1ADORA2AADORA2B

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 KDM4E 3841/4885RECQL 3250/4885TDP1 3951/4885
US-20050215797-A1 Pyrazole derivatives and process for the production thereof CBR3, CYP4Z1, CYP4F3 KDM4E 3841/4885RECQL 3250/4885TDP1 3951/4885

“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.