SCHEMBL2312920

SCHEMBL2312920

Nc1ccc2ncn(Cc3ccc(F)cc3)c(=O)c2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.60
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRK2 P25098 3/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
SCD O00767 1/20 0.48
TNF P01375 1/20 0.48
GRK5 P34947 1/20 0.46
GRK1 Q15835 1/20 0.46
QPCT Q16769 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
SCHEMBL2318321 0.88 SCD (0.61) MMP13SMN1; SMN2GRK2HDAC6SCD
SCHEMBL2315222 0.87 GRK2 (0.50) MMP13SMN1; SMN2GRK2HDAC3HDAC4
SCHEMBL2319334 0.87 SCD (0.52) MMP13GRK2SCDQPCT
SCHEMBL2315631 0.87 SCD (0.58) MMP13SMN1; SMN2GRK2SCD
SCHEMBL2316647 0.86 MMP13 (0.52) MMP13GRK2SCDQPCT
SCHEMBL2315711 0.85 SCD (0.63) MMP13HTTSMN1; SMN2GRK2SCD
SCHEMBL6302269 0.84 MMP13 (0.60) MMP13HTTSMN1; SMN2GRK2HDAC3
SCHEMBL2315834 0.84 MMP13 (0.64) MMP13GRK2HDAC3HDAC4HDAC1
SCHEMBL5696971 0.81 MMP13 (0.65) MMP13
SCHEMBL2315475 0.80 POLB (0.62) MMP13HTTSMN1; SMN2MEN1KMT2A

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 2270/4885HTT 2330/4885SMN1; SMN2 3593/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 MMP13 2270/4885HTT 2330/4885SMN1; 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.