SCHEMBL7874628

SCHEMBL7874628

Nc1cc(N2CC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 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
SMN1; SMN2 Q16637 1/20 0.37
PIK3CA P42336 4/20 0.36
CRBN Q96SW2 2/20 0.36
DDB1 Q16531 1/20 0.36
BRD4 O60885 2/20 0.36
CREBBP Q92793 2/20 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
SCHEMBL6894488 0.93 CRBN (0.44) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL6893297 0.92 CRBN (0.39) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL6894450 0.91 CRBN (0.42) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL6891856 0.83 BRD4 (0.36) MEN1NPC1RAB9AKMT2APIK3CA
SCHEMBL10234481 0.81 CHEK1 (0.46) CHEK1CCNA2CDK2CCNA1
SCHEMBL6894435 0.80 PIM1 (0.41) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL6893490 0.80 CRBN (0.42) PIK3CACRBNDDB1BRD4CREBBP
SCHEMBL6894950 0.79 CRBN (0.42) PIK3CACRBNDDB1BRD4CREBBP
SCHEMBL6894944 0.78 CDK8 (0.42) PIK3CACRBNDDB1BRD4CREBBP
SCHEMBL2680935 0.78 PARP10 (0.41) KDM4EMEN1NPC1ALDH1A1MAPT

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 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.