SCHEMBL10239462

SCHEMBL10239462

Cn1ccc(-c2cnn3c(N)cc(N4Cc5[nH]c(=O)[nH]c(=O)c5C4)nc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 4/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
GFER P55789 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6892783 0.88 CHEK1 (0.44) CHEK1CCNA2CDK2CCNA1
SCHEMBL10239460 0.83 CHEK1 (0.35) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6891437 0.81 MAPK1 (0.36) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6894418 0.73 NPC1 (0.36) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6893572 0.72 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL6891842 0.72 CRBN (0.41) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6891847 0.64 CHEK1 (0.46) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL14516619 0.64 CHEK1 (0.50) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL6893199 0.64 MAPT (0.47) KDM4EMEN1NPC1MAPTRAB9A
SCHEMBL14543125 0.63 CHEK1 (0.54) KDM4EMEN1NPC1MAPTRAB9A

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 KDM4E 1448/4885MEN1 1398/4885NPC1 348/4885

“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.