SCHEMBL405044

SCHEMBL405044

O=C(Cl)c1cnn2cnc(Cl)cc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 10/20 0.35
RIPK2 O43353 1/20 0.31
LCK P06239 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NLRP3 Q96P20 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
CCR9 P51686 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
SIRT6 Q8N6T7 1/20 0.30

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
SCHEMBL405964 0.81 EPHB3 (0.39) EPHB3IRAK4
SCHEMBL404837 0.78 EPHB3 (0.39) EPHB3RIPK2LCKIRAK4
SCHEMBL31030385 0.69 EIF4A3 (0.47) EPHB3RIPK2LCKNPC1RAB9A
SCHEMBL29577063 0.66 NNMT (0.42) SMN1; SMN2NAPRTSIRT6
SCHEMBL16333365 0.66 NNMT (0.42) SMN1; SMN2NAPRTSIRT6
SCHEMBL1044120 0.66 EPHB3 (0.58) EPHB3RIPK2LCKDRD4DRD3
SCHEMBL27292456 0.64 NAPRT (0.38) EPHB3RIPK2LCKNPC1RAB9A
SCHEMBL17796149 0.63 SIRT6 (0.39) NAPRTSIRT6
SCHEMBL15547132 0.63 GABRP (0.44) RAB9ASMN1; SMN2NAPRTSIRT6
SCHEMBL28824877 0.63 KDM4E (0.46) NPC1RAB9ANAPRTSIRT6

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 2273/4885RIPK2 553/4885LCK 27/4885

“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.