SCHEMBL2319334

SCHEMBL2319334

Nc1ccc2ncn(Cc3ccc(Cl)c(F)c3)c(=O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.52
QPCT Q16769 2/20 0.51
QPCTL Q9NXS2 1/20 0.48
GRK2 P25098 3/20 0.48
MMP13 P45452 2/20 0.47
ENPP2 Q13822 1/20 0.46

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
SCHEMBL2315631 0.91 SCD (0.58) SCDGRK2MMP13
SCHEMBL2315711 0.89 SCD (0.63) SCDGRK2MMP13
SCHEMBL2312920 0.87 MMP13 (0.60) SCDQPCTGRK2MMP13
SCHEMBL2318321 0.85 SCD (0.61) SCDGRK2MMP13
SCHEMBL2317979 0.82 L3MBTL1 (0.51) SCDGRK2
SCHEMBL2315222 0.82 GRK2 (0.50) SCDGRK2MMP13
SCHEMBL2316647 0.81 MMP13 (0.52) SCDQPCTQPCTLGRK2MMP13
SCHEMBL2315109 0.80 PDE5A (0.50) SCDQPCTQPCTLGRK2MMP13
SCHEMBL2312640 0.80 SCD (0.63) SCD
SCHEMBL2314365 0.79 SCD (0.83) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350029-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-08-03 EP disclosed
WO-2010056230-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2010-05-20 WO disclosed
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 US disclosed
US-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-10-16 US 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-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885QPCT 332/4885QPCTL 1583/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885QPCT 332/4885QPCTL 1583/4885

“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.