SCHEMBL405792

SCHEMBL405792

O=C(Nc1ccccc1)c1cnn2cnc(Cl)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 11/20 0.52
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NLRP3 Q96P20 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 2/20 0.47
USP2 O75604 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KLF5 Q13887 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
RIPK2 O43353 1/20 0.46

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
SCHEMBL405638 0.78 RAB9A (0.47) EPHB3NPC1RAB9AKDM4ETP53
SCHEMBL405044 0.76 EPHB3 (0.35) EPHB3NPC1RAB9ASMN1; SMN2NLRP3
SCHEMBL31027465 0.75 NPC1 (0.76) EPHB3NPC1RAB9AKDM4ETP53
SCHEMBL15210511 0.69 HTT (0.79) NPC1RAB9ATP53SMN1; SMN2NLRP3
SCHEMBL10932638 0.69 ALDH1A1 (0.67) RAB9AKDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL2878098 0.68 EPHB3 (1.00) EPHB3RIPK2LCKIRAK4
SCHEMBL736261 0.66 LMNA (0.62) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14023629 0.66 L3MBTL1 (0.56) TP53SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL12074815 0.66 KDR (0.50) NPC1RAB9AKDM4ETP53SMN1; SMN2
SCHEMBL1472005 0.66 HSPD1 (0.55) NPC1RAB9AKDM4EALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 EPHB3 2273/4885NPC1 2785/4885RAB9A 869/4885

“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.