SCHEMBL2314971

SCHEMBL2314971

Nc1ccc2c(=O)n(Cc3cccc(Cl)c3)cnc2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.56
PDE5A O76074 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
FSCN1 Q16658 1/20 0.53
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
UBE2N P61088 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.52
GRK2 P25098 2/20 0.49
GRK1 Q15835 1/20 0.49
HDAC6 Q9UBN7 1/20 0.46
SCD O00767 1/20 0.46
TNF P01375 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45
ACP1 P24666 1/20 0.45

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
SCHEMBL2318142 0.87 PDE5A (0.59) PDE5ASMN1; SMN2HTTMAPK1GRK2
SCHEMBL2312640 0.84 SCD (0.63) PDE5ASMN1; SMN2FSCN1HTTUBE2N
SCHEMBL2315109 0.81 PDE5A (0.50) MMP13PDE5AGRK2GRK1HDAC6
SCHEMBL2312156 0.81 MAPT (0.60) MMP13PDE5ASMN1; SMN2HTTL3MBTL1
SCHEMBL4550084 0.80 HDAC6 (0.58) MMP13PDE5ASMN1; SMN2FSCN1HDAC6
SCHEMBL21788588 0.80 HTT (0.58) MMP13SMN1; SMN2HTTGRK2
SCHEMBL2317125 0.78 SCD (0.76) MMP13SMN1; SMN2FSCN1SCD
SCHEMBL2318321 0.77 SCD (0.61) MMP13PDE5ASMN1; SMN2GRK2HDAC6
SCHEMBL14478795 0.74 PDE5A (0.65) MMP13PDE5ASMN1; SMN2HTTGRK2
SCHEMBL2315442 0.74 SCD (0.74) MMP13SMN1; SMN2GRK2GRK1SCD

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 MMP13 2270/4885PDE5A 3459/4885SMN1; SMN2 3593/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 MMP13 2270/4885PDE5A 3459/4885SMN1; SMN2 3593/4885

“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.