SCHEMBL7765425

SCHEMBL7765425

CCc1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.53
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK1G2 P78368 1/20 0.40
PIN1 Q13526 1/20 0.40
MAPK10 P53779 4/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
RHEB Q15382 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL9063730 0.87 GRIN1 (0.51) GAAGRIN1GRIN2BIMPDH2IMPDH1
SCHEMBL4889180 0.84 CACNA1H (0.46) GRIN1GRIN2BIMPDH2IMPDH1CSNK1A1
SCHEMBL7653718 0.84 TDP1 (0.47) GRIN1GRIN2BMEN1KMT2AIMPDH2
SCHEMBL3391736 0.84 GRIN1 (0.43) GRIN1GRIN2BMEN1KMT2AIMPDH2
SCHEMBL485969 0.84 GRIN1 (0.43) GRIN1GRIN2BMEN1KMT2AIMPDH2
SCHEMBL11303548 0.84 POLB (0.46) MEN1KMT2A
SCHEMBL7655130 0.81 RAD52 (0.50) GRIN1GRIN2BMEN1KMT2AIMPDH2
SCHEMBL7653326 0.81 GRIN1 (0.42) GAAHTTGRIN1GRIN2BMEN1
SCHEMBL12619000 0.81 GRIN1 (0.39) GAAGRIN1GRIN2BMEN1KMT2A
SCHEMBL11327259 0.80 GRIN1 (0.41) GRIN1GRIN2BMEN1KMT2AIMPDH2

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
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 US disclosed
US-7217720-B2 17-heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-05-15 US disclosed
EP-1111451-A2 Photothermographic material FUJI PHOTO FILM CO., LTD. (JP) 2001-06-27 EP 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 (1 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 DDAH1 1865/4885GAA 708/4885HTT 2158/4885

“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.