SCHEMBL265154

SCHEMBL265154

CN1CCN(c2ccc(-c3cnc(N)nc3N)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.59
FYN P06241 3/20 0.56
LCK P06239 1/20 0.52
HCK P08631 1/20 0.52
SRC P12931 1/20 0.52
KDR P35968 1/20 0.52
RPS6KA3 P51812 1/20 0.52
HRH4 Q9H3N8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
ADRA2C P18825 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
PTK2B Q14289 1/20 0.50
ESR2 Q92731 1/20 0.50
CHEK1 O14757 1/20 0.48

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
SCHEMBL30560046 1.00 DHFR (0.59) DHFRFYNLCKHCKSRC
SCHEMBL14694265 0.85 DHFR (0.58) DHFRKDM4EALDH1A1GAAMAPT
SCHEMBL2558872 0.84 DHFR (0.60) DHFRFYN
SCHEMBL29019905 0.83 DHFR (0.52) DHFRFYNHRH4KDM4EALDH1A1
SCHEMBL17907560 0.83 DHFR (0.56) DHFR
SCHEMBL30515653 0.83 DHFR (0.56) DHFR
SCHEMBL28070389 0.80 HRH4 (0.52) DHFRFYNLCKHCKSRC
SCHEMBL17907568 0.80 LMNA (0.54) DHFR
SCHEMBL29213517 0.78 PTK2 (0.49) DHFRFYNLCKHCKSRC
SCHEMBL30827032 0.78 PTK2 (0.49) DHFRFYNLCKHCKSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 EP disclosed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 WO disclosed
CN-101370792-B Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC 2013-03-20 CN disclosed
EP-2558474-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed
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
WO-2011130390-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-20 WO disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
CN-101370792-A Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN INC (US) 2009-02-18 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 DHFR 227/4885FYN 221/4885LCK 63/4885

“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.