SCHEMBL405964

SCHEMBL405964

COC(=O)c1cnn2cnc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 4/20 0.39
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
STING1 Q86WV6 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
ABL1 P00519 1/20 0.36
SPR P35270 1/20 0.35
NOTUM Q6P988 1/20 0.35
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL404837 0.82 EPHB3 (0.39) EPHB3KDM4ESTING1IRAK4
SCHEMBL405044 0.81 EPHB3 (0.35) EPHB3IRAK4
SCHEMBL30760451 0.78 LMNA (0.39) EPHB3LMNAKMT2AKDM4ESTING1
SCHEMBL19786566 0.75 EPHB3 (0.44) EPHB3LMNAKMT2AKDM4ESTING1
SCHEMBL2176212 0.72 NPC1 (0.49) EPHB3LMNAKMT2AKDM4ESTING1
SCHEMBL405791 0.72 ALDH1A1 (0.46) LMNAKMT2AKDM4E
SCHEMBL3612196 0.72 CA12 (0.46) EPHB3LMNAKMT2AKDM4ESTING1
SCHEMBL30977391 0.72 EPHB3 (0.56) EPHB3LMNAKMT2AKDM4EABL1
SCHEMBL17320982 0.72 EPHB3 (0.56) EPHB3LMNAKMT2AKDM4EIRAK4
SCHEMBL16473313 0.72 TGFBR1 (0.44) EPHB3LMNAKDM4ESTING1IRAK4

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 2273/4885LMNA 4783/4885KMT2A 1030/4885

“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.