SCHEMBL10239754

SCHEMBL10239754

CC(=O)c1c(N)n2ncc(-c3ccc4ccccc4c3)c2nc1[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.39
PIM2 Q9P1W9 3/20 0.39
CHEK1 O14757 5/20 0.38
CCNA2 P20248 5/20 0.38
CDK2 P24941 5/20 0.38
CCNA1 P78396 5/20 0.38
RET P07949 3/20 0.37
KIF5B P33176 3/20 0.37
KDR P35968 3/20 0.37
ETV6 P41212 3/20 0.37
CCDC6 Q16204 3/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37

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
SCHEMBL10239757 1.00 PIM1 (0.39) PIM1PIM2CHEK1CCNA2CDK2
SCHEMBL7875031 0.89 PIK3CA (0.41) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL7878718 0.89 PIK3CA (0.41) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL6889175 0.86 MTOR (0.44) CHEK1CCNA2CDK2CCNA1KDR
SCHEMBL10277202 0.86 MTOR (0.44) CHEK1CCNA2CDK2CCNA1KDR
SCHEMBL10236906 0.84 CHEK1 (0.42) PIM1CHEK1CCNA2CDK2CCNA1
SCHEMBL10234435 0.83 CHEK1 (0.38) PIM1CHEK1CCNA2CDK2CCNA1
SCHEMBL7874679 0.82 NEK2 (0.45) KDRMEN1KMT2ANPC1ALDH1A1
SCHEMBL10234433 0.82 KDR (0.37) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL7881735 0.82 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1RET

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 PIM1 255/4885PIM2 400/4885CHEK1 461/4885

“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.