SCHEMBL7875019

SCHEMBL7875019

CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3cnc4sccc4c3)cnn2c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CHEK1 O14757 7/20 0.33
▸ CCNA2 P20248 7/20 0.33
▸ CDK2 P24941 7/20 0.33
▸ CCNA1 P78396 7/20 0.33
▸ LCK P06239 9/20 0.32
▸ KDR P35968 8/20 0.32
▸ SRC P12931 8/20 0.32
▸ HCK P08631 6/20 0.32
▸ RET P07949 3/20 0.32
▸ KIT P10721 3/20 0.32
▸ PDGFRA P16234 3/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ CSF1R P07333 2/20 0.32
▸ LYN P07948 2/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ FGR P09769 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ FGFR2 P21802 2/20 0.32

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
SCHEMBL10235358 0.95 MTOR (0.32) ROCK2CYP3A4CHEK1CCNA2CDK2
SCHEMBL10240296 0.90 CHEK1 (0.43) ROCK2CYP3A4CHEK1CCNA2CDK2
SCHEMBL10237007 0.87 LCK (0.38) CHEK1CCNA2CDK2CCNA1LCK
SCHEMBL7879300 0.86 PIK3CA (0.41) ROCK2CYP3A4FGFR2
SCHEMBL7886240 0.86 KDR (0.34) CHEK1CCNA2CDK2CCNA1LCK
SCHEMBL10238351 0.85 LCK (0.38) CYP3A4CHEK1CCNA2CDK2CCNA1
SCHEMBL7881735 0.85 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1LCK
SCHEMBL10235094 0.85 PIK3CA (0.36) ROCK2CYP3A4CHEK1CCNA2CDK2
SCHEMBL10238312 0.85 TYRO3 (0.35) ROCK2CYP3A4CHEK1CCNA2CDK2
SCHEMBL7875015 0.84 MET (0.33) CHEK1CCNA2CDK2CCNA1LCK

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR ROCK2 3351/4885CYP3A4 3581/4885CHEK1 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.

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