SCHEMBL263544

SCHEMBL263544

CN1CCN(c2ccc(-c3cnc(N)nc3Nc3cccc(C4CCNCC4)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.44
AXL P30530 1/20 0.43
TYRO3 Q06418 1/20 0.43
MERTK Q12866 1/20 0.43
PTK2 Q05397 2/20 0.41
JAK3 P52333 1/20 0.41
BRD4 O60885 11/20 0.41
CACNA2D1 P54289 1/20 0.40
JAK2 O60674 1/20 0.40
CTSC P53634 1/20 0.39
KCNH2 Q12809 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
SCHEMBL266184 0.84 BRD4 (0.47) JAK3BRD4JAK2
SCHEMBL263688 0.81 JAK2 (0.48) PTK2JAK3BRD4JAK2CTSC
SCHEMBL263109 0.79 JAK2 (0.51) PTK2JAK3BRD4JAK2
SCHEMBL264050 0.78 BRD4 (0.66) JAK3BRD4JAK2
SCHEMBL265875 0.78 BRD4 (0.63) BRD4
SCHEMBL265214 0.76 BRD4 (0.49) JAK3BRD4JAK2
SCHEMBL6313126 0.75 HTR3A (0.52) DHFR
SCHEMBL264498 0.75 BRD4 (0.48) JAK3BRD4JAK2
SCHEMBL265824 0.75 BRD4 (0.46) JAK3BRD4JAK2
SCHEMBL264535 0.75 KCNA5 (0.50) JAK3BRD4JAK2

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-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 DHFR 227/4885AXL 267/4885TYRO3 30/4885

“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.