SCHEMBL4486186

SCHEMBL4486186

Cc1cc(C)c(-c2cnc(N)nc2N)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.55
DHFR P00374 5/20 0.49
SRC P12931 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
LCK P06239 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
MAPK14 Q16539 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL8127441 0.85 FGFR1 (0.78) FGFR1DHFRSRCPDGFRBPDGFRA
SCHEMBL4200127 0.83 FGFR1 (0.71) FGFR1DHFRSRCPDGFRBPDGFRA
SCHEMBL4357670 0.79 DHFR (0.50) FGFR1DHFRNOS3NOS1NOS2
SCHEMBL4188897 0.75 DHFR (0.54) FGFR1DHFRLCKKDRJAK3
SCHEMBL15389064 0.74 DHFR (0.56) FGFR1DHFRLCKKDRJAK3
SCHEMBL736022 0.72 DHFR (0.58) FGFR1DHFRSRCPDGFRBPDGFRA
SCHEMBL8131484 0.71 FGFR1 (1.00) FGFR1DHFRSRCPDGFRBPDGFRA
SCHEMBL8893950 0.71 DHFR (0.43) FGFR1DHFRSRCADORA1
SCHEMBL31656490 0.71
SCHEMBL879562 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514445-B2 Heteroaryl amines as glycogen synthase kinase 3β inhibitors (GSK3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-07 US disclosed
WO-2007075911-A2 INHIBITION OF GLYCOGEN SYNTHASE KINASE AND METHODS OF TREATING AUTOIMMUNE OR IMMUNE INFLAMMATORY DISEASE YALE UNIVERSITY (US) 2007-07-05 WO disclosed
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 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-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP FGFR1 1959/4885DHFR 2507/4885SRC 510/4885

“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.