SCHEMBL2599731

SCHEMBL2599731

CC(C)n1cc(C=O)c2c(-c3ccc(F)cc3)ccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.41
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL2599759 0.77 TRIM24 (0.34) ALDH1A1LCKSRC
SCHEMBL672431 0.77 ALDH1A1 (0.38) CDK7MAPK14ALDH1A1SMN1; SMN2ADORA2A
SCHEMBL3216441 0.69 MTOR (0.54) CDK1CCNA2CDK2MAPK14ALDH1A1
SCHEMBL670862 0.68 CYP3A4 (0.34) ALDH1A1SMN1; SMN2MAPTADORA2AADORA1
SCHEMBL9750845 0.66 HMGCR (0.56) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL5259766 0.66 KDR (0.37) ADORA2AADORA1KDRTEKLCK
SCHEMBL671526 0.66 ALDH1A1 (0.51) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL671614 0.65 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2ADORA2AADORA1KDM4E
SCHEMBL8108101 0.65 PIK3CA (0.60) CDK1CDK2MAPK14KDRSRC
SCHEMBL4283533 0.65 MTOR (0.44) CDK1CDK2MAPK14ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 SSTR5 1/4885CDK1 3727/4885CDK4 2608/4885

“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.