SCHEMBL1897291

SCHEMBL1897291

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2-c1cccc(C=O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.71
SRC P12931 16/20 0.64
EGFR P00533 8/20 0.61
KDR P35968 7/20 0.61
ABL1 P00519 6/20 0.61
ABL2 P42684 6/20 0.61
CDK1 P06493 4/20 0.58
LCK P06239 5/20 0.55
TEK Q02763 4/20 0.55
CSK P41240 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
RGS12 O14924 1/20 0.52
NPC1 O15118 1/20 0.52
GMNN O75496 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
FYN P06241 1/20 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
SCHEMBL15934520 0.86 SRC (0.80) BTKSRCEGFRKDRABL1
SCHEMBL1897340 0.86 SRC (0.69) BTKSRCEGFRKDRABL1
Cyanate SCHEMBL27871831 0.84 BTK (0.75) BTKSRCEGFRKDRABL1
SCHEMBL1898318 0.84 BTK (1.00) BTKSRCEGFRKDRABL1
SCHEMBL1898321 0.84 BTK (1.00) BTKSRCEGFRKDRABL1
SCHEMBL1901072 0.83 SRC (0.82) BTKSRCEGFRKDRABL1
SCHEMBL14646982 0.82 SRC (0.64) BTKSRCEGFRKDRABL1
SCHEMBL1906312 0.81 BTK (1.00) BTKSRCEGFRKDRABL1
SCHEMBL1906314 0.81 BTK (1.00) BTKSRCEGFRKDRABL1
SCHEMBL1906416 0.79 BTK (1.00) BTKSRCEGFRKDRABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-9505766-B2 Kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-29 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
US-20150045343-A1 KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
EP-2558099-A2 KINASE INHIBITORS The Regents Of The University Of California, San Francisco (US) 2013-02-20 EP disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
US-20130035325-A1 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
CN-102711765-A Kinase inhibitors UNIV CALIFORNIA 2012-10-03 CN disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO disclosed
WO-2011060440-A2 KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-19 WO 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 (2 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-20130035325-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 BTK 270/4885SRC 84/4885EGFR 347/4885
US-20150045343-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K8 BTK 270/4885SRC 84/4885EGFR 347/4885

“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.