SCHEMBL379227

SCHEMBL379227

Cc1ccc(F)c(CCl)c1F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.33
PKM P14618 1/20 0.33
ACHE P22303 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
P2RX7 Q99572 4/20 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
SCHEMBL18231882 0.86 HTR2A (0.33) HTR2AHTR2CHTR2BP2RX7
SCHEMBL19682452 0.82 PKM (0.33) PKMACHEP2RX7
SCHEMBL10472581 0.80 TAAR1 (0.32)
SCHEMBL12886698 0.79 ACHE (0.33) ENPP2PKMACHEP2RX7
SCHEMBL17997270 0.78 ALDH1A1 (0.30)
SCHEMBL2849049 0.77 HTR2A (0.34) ENPP2ACHEHTR2AHTR2CHTR2B
SCHEMBL1166843 0.77 ENPP2 (0.33) ENPP2ACHEP2RX7
SCHEMBL149090 0.77 ACHE (0.32) ENPP2ACHE
SCHEMBL378747 0.77 ACHE (0.32) ENPP2ACHEHTR2AHTR2CHTR2B
SCHEMBL1561409 0.77 TAAR1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778966-B2 Quinolinone derivatives as PARP and tank inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-07-15 US disclosed
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS VIALARD JORGE EDUARDO (BE) 2013-01-17 US disclosed
US-8299256-B2 Quinolinone derivatives as PARP and TANK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-10-30 US disclosed
EP-2134691-B1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-25 EP disclosed
US-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-07-01 US disclosed
EP-2134691-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-12-23 EP disclosed
WO-2008107478-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-12 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 (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-20100168065-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 ENPP2 1891/4885PKM 905/4885ACHE 4240/4885
US-20130018017-A1 QUINOLINONE DERIVATIVES AS PARP AND TANK INHIBITORS PARP1, PARP11, PARP3 ENPP2 1891/4885PKM 905/4885ACHE 4240/4885

“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.