SCHEMBL9955648

SCHEMBL9955648

CS(=O)(=O)c1ncc2c(n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CDK5 Q00535 9/20 0.42
CDK5R1 Q15078 9/20 0.42
CCNA2 P20248 6/20 0.42
CDK2 P24941 6/20 0.42
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CCND3 P30281 1/20 0.40
FLT3 P36888 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
GRM5 P41594 2/20 0.39
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7386390 0.96 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CDK5CDK5R1CCNA2
SCHEMBL14496905 0.76 CYP2C19 (0.40) MAOBTP53MAPT
SCHEMBL30834523 0.76 SMN1; SMN2 (0.31) SMN1; SMN2L3MBTL1
SCHEMBL2246755 0.74 ESR1 (0.41) NPC1MAPT
SCHEMBL16870041 0.74 MAPT (0.33) SMN1; SMN2L3MBTL1ALDH1A1NPC1TP53
SCHEMBL18818477 0.74 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1ALDH1A1NPC1TP53
SCHEMBL18818957 0.72 TP53 (0.33) SMN1; SMN2L3MBTL1ALDH1A1NPC1TP53
Hydrochloric Acid SCHEMBL28409769 0.72 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1NPC1TP53MAPT
SCHEMBL30834494 0.72 TP53 (0.36) ALDH1A1NPC1TP53MAPTXBP1
SCHEMBL785054 0.71 MAPT (0.43) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 US disclosed
WO-2012085167-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO 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-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO SMN1; SMN2 2439/4885L3MBTL1 1329/4885CDK5 824/4885

“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.