SCHEMBL3069615

SCHEMBL3069615

COc1nnc(Cl)cc1C(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL25072436 0.85 SSTR4 (0.40) SSTR4ALDH1A1CYP1A2CYP2C19JUN
SCHEMBL15633671 0.78 ALDH1A1 (0.33) SSTR4ALDH1A1CYP1A2CYP2C19
SCHEMBL3075824 0.75 TDP1 (0.41) ALDH1A1JUNNFKB1NFKB2RELA
SCHEMBL29206809 0.70 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19
SCHEMBL15577470 0.69 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL16387120 0.69 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL29770615 0.69 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL3085421 0.68 MEN1 (0.34) ALDH1A1
SCHEMBL1750877 0.67 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19
SCHEMBL27238766 0.67 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19

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-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US disclosed
EP-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 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 (1 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-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 SSTR4 4407/4885ALDH1A1 325/4885CYP1A2 1623/4885

“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.