SCHEMBL10240152

SCHEMBL10240152

CCOC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NR2F2 P24468 1/20 0.42
HTT P42858 1/20 0.42
NOS2 P35228 5/20 0.41
NOS1 P29475 4/20 0.41
NOS3 P29474 2/20 0.41
MAP4K4 O95819 1/20 0.41
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CDK2 P24941 5/20 0.38
CCNA2 P20248 2/20 0.38
CCNK O75909 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK12 Q9NYV4 1/20 0.38

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
SCHEMBL10235130 0.95 CCNA2 (0.38) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL10239221 0.94 MAP4K4 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL10235128 0.92 CCNA2 (0.40) CDK2CCNA2CCNKCDK7CCNH
SCHEMBL10235318 0.92 CCNA2 (0.39) MAP4K4CDK2CCNA2CCNKCDK7
SCHEMBL10235323 0.91 CCNA2 (0.39) ALDH1A1MAPTMAP4K4CDK2CCNA2
SCHEMBL10235145 0.91 MAPK8 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL10235148 0.91 CCNA2 (0.38) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL10235114 0.90 MET (0.39) MAP4K4CDK2CCNA2CCNKCDK7
SCHEMBL10235118 0.90 MAPK8 (0.38) MAP4K4CDK2CCNA2CCNKCDK7
SCHEMBL10235119 0.90 CCNA2 (0.38) MAP4K4CDK2CCNA2CCNKCDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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 (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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR ALDH1A1 3479/4885SMN1; SMN2 1798/4885LMNA 3708/4885

“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.