SCHEMBL13034199

SCHEMBL13034199

Cc1ccnc(NCCN)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.54
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.41
SYK P43405 3/20 0.41
ZAP70 P43403 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
FERMT2 Q96AC1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FASN P49327 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4716836 0.88 HRH3 (0.45) CXCR4MAPTCYP2C9NPSR1SYK
SCHEMBL91452 0.83 NPSR1 (0.46) MAPTCYP2C9NPSR1MAPK1SMN1; SMN2
SCHEMBL10225045 0.81 MAPK1 (0.59) MAPTCYP2C9NPSR1MAPK1SMN1; SMN2
SCHEMBL11399621 0.80 NPSR1 (0.44) MAPTCYP2C9NPSR1MAPK1SMN1; SMN2
SCHEMBL13403107 0.80 HRH4 (0.56) MAPTCYP2C9NPSR1MAPK1SMN1; SMN2
SCHEMBL7204411 0.79 CXCR4 (0.55) CXCR4SYKZAP70FERMT2ALDH1A1
SCHEMBL38657414 0.79 DNM2 (0.57) MAPTCYP2C9NPSR1
SCHEMBL91582 0.79 MKNK1 (0.51) MAPTCYP2C9NPSR1SMN1; SMN2ALDH1A1
SCHEMBL13034550 0.79 DNM2 (0.57) MAPTCYP2C9NPSR1
SCHEMBL13218581 0.79 HRH4 (0.43) MAPTCYP2C9NPSR1MAPK1SMN1; SMN2

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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CXCR4 1378/4885MAPT 2745/4885CYP2C9 643/4885

“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.