SCHEMBL6282617

SCHEMBL6282617

NCc1cccc(C(=O)c2ccc3cnn(C=Cc4ccccn4)c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.38
FGFR1 P11362 2/20 0.35
LCK P06239 1/20 0.35
VNN1 O95497 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
CYP19A1 P11511 2/20 0.34
ALKBH1 Q13686 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL5250120 0.87 KDR (0.51) KDRFGFR1LCKNPC1RAB9A
SCHEMBL7554927 0.83 KDR (0.44) KDRFGFR1LCKNPC1RAB9A
SCHEMBL5251699 0.82 KDR (0.55) KDRFGFR1LCK
SCHEMBL5253237 0.81 FGFR1 (0.37) KDRFGFR1LCKVNN1NPC1
SCHEMBL5247440 0.81 KDR (0.56) KDRFGFR1LCKNPC1RAB9A
SCHEMBL5250964 0.80 KDR (0.40) KDRFGFR1LCKNPC1RAB9A
SCHEMBL5246397 0.79 KDR (0.57) KDRFGFR1LCK
SCHEMBL5307471 0.79 KDR (0.41) KDRFGFR1LCKNPC1RAB9A
SCHEMBL5248721 0.79 KDR (0.60) KDRFGFR1LCK
SCHEMBL5250103 0.79 MEN1 (0.47) KDRFGFR1LCK

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-6891044-B2 Indazole compounds and pharmaceutical compositions for Inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
US-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, LLC 2004-09-02 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-20040171634-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, ROCK1 KDR 60/4885FGFR1 262/4885LCK 39/4885

“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.