SCHEMBL3843880

SCHEMBL3843880

Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
FSCN1 Q16658 4/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
UBE2N P61088 1/20 0.50
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2315711 0.81 SCD (0.63) SCDSMN1; SMN2MAPK1FSCN1LMNA
SCHEMBL3421426 0.81 SCD (0.59) SCDSMN1; SMN2MAPK1FSCN1LMNA
SCHEMBL2312640 0.79 SCD (0.63) SCDSMN1; SMN2MAPK1FSCN1LMNA
SCHEMBL2317199 0.78 SCD (1.00) SCDSMN1; SMN2MAPK1FSCN1
SCHEMBL14048851 0.74 SCD (0.60) SCDSMN1; SMN2MAPK1FSCN1HTT
SCHEMBL2312076 0.74 SCD (0.76) SCDSMN1; SMN2MAPK1FSCN1
SCHEMBL23555556 0.73 TP53 (0.57) SCDSMN1; SMN2MAPK1LMNATP53
SCHEMBL2317598 0.73 SCD (0.76) SCDSMN1; SMN2MAPK1FSCN1LMNA
SCHEMBL2312070 0.73 SCD (0.76) SCDSMN1; SMN2MAPK1FSCN1
SCHEMBL3087107 0.72 SCD (0.63) SCDSMN1; SMN2MAPK1FSCN1LMNA

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-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 US 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-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-04-23 US disclosed
WO-2008127615-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS INC (US) 2008-10-23 WO 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
US-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-10-16 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 1/4885SMN1; SMN2 3593/4885MAPK1 2689/4885
US-20090105283-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 SCD 1/4885SMN1; SMN2 3593/4885MAPK1 2689/4885

“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.