SCHEMBL4128043

SCHEMBL4128043

O=C(Nc1cnc2[nH]ccc2c1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.63
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
MAPT P10636 1/20 0.62
KIT P10721 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
BRAF P15056 1/20 0.54
PIK3CA P42336 3/20 0.53
MTOR P42345 3/20 0.53
JAK2 O60674 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CDK8 P49336 4/20 0.52
AXL P30530 2/20 0.52
MAP4K4 O95819 2/20 0.52
CHEK2 O96017 2/20 0.52
CDK1 P06493 2/20 0.52
FES P07332 2/20 0.52
ROS1 P08922 2/20 0.52
FER P16591 2/20 0.52
FLT4 P35916 2/20 0.52

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
SCHEMBL29429732 1.00 KDR (0.63) KDRNPC1RAB9AMAPTKIT
SCHEMBL1370773 0.89 RAB9A (0.54) KDRNPC1RAB9AMAPTKIT
SCHEMBL12143169 0.89 CDK8 (0.54) KDRNPC1RAB9AMAPTKIT
SCHEMBL17420246 0.87 NPC1 (0.55) KDRNPC1RAB9AMAPTKIT
SCHEMBL2040710 0.87 RAB9A (0.65) NPC1RAB9AKITPIK3CAMTOR
SCHEMBL1370776 0.86 RIPK1 (0.65) KDRNPC1RAB9AMAPTKIT
SCHEMBL12143163 0.85 PIK3CA (0.56) KDRKITBRAFPIK3CAMTOR
SCHEMBL12143154 0.85 KIT (0.59) KDRNPC1RAB9AMAPTKIT
SCHEMBL1370777 0.84 CDK8 (0.56) KDRNPC1RAB9AMAPTKIT
SCHEMBL17420229 0.84 KDR (0.54) KDRNPC1RAB9AMAPTKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP claimed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
CN-101511828-A Heteroaryl derivatives as protein kinase inhibitors HOFFMANN LA ROCHE (CH) 2009-08-19 CN 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA KDR 1193/4885NPC1 1424/4885RAB9A 991/4885

“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.