SCHEMBL10239377

SCHEMBL10239377

CN(C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM1A O60341 1/20 0.39
PDGFRB P09619 3/20 0.38
PDGFRA P16234 3/20 0.38
CYP2A6 P11509 1/20 0.36
NPC1 O15118 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
BIRC5 O15392 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL16104603 0.82 RAB9A (0.49) MAPTRAB9AKDM4EALDH1A1PDGFRB
SCHEMBL31339 0.80 KDM4E (0.33) MAPTRAB9AKDM4EALDH1A1PDGFRB
SCHEMBL10239378 0.73 LTB4R (0.37) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7881975 0.72 KDM4E (0.41) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL30348 0.69 MEN1 (0.32) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL7879162 0.69 RAB9A (0.39) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL17192160 0.69 GSK3B (0.39) KMT2AMEN1
SCHEMBL19017912 0.68 KMT2A (0.51) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL10234075 0.67 CHEK1 (0.46) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL10498512 0.66 PDGFRB (0.54) MAPTRAB9AALDH1A1KDM1APDGFRB

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 MAPT 2597/4885RAB9A 720/4885KDM4E 1448/4885

“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.