SCHEMBL2877271

SCHEMBL2877271

Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.56
SMG1 Q96Q15 7/20 0.55
JAK2 O60674 9/20 0.54
CDK1 P06493 3/20 0.49
CDK2 P24941 3/20 0.49
MTOR P42345 2/20 0.49
HDAC1 Q13547 1/20 0.47
MYLK4 Q86YV6 2/20 0.47
STK17A Q9UEE5 2/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
JAK3 P52333 1/20 0.47

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
SCHEMBL30053338 1.00 ZAP70 (0.56) ZAP70SMG1JAK2CDK1CDK2
SCHEMBL15108156 0.84 JAK2 (0.61) ZAP70SMG1JAK2CDK1CDK2
SCHEMBL29618422 0.78 JAK2 (0.62) ZAP70SMG1JAK2CDK1CDK2
SCHEMBL13467117 0.77 JAK2 (0.55) ZAP70SMG1JAK2HDAC1TBK1
SCHEMBL30051963 0.77 JAK2 (0.56) JAK2HDAC1JAK3
SCHEMBL2852167 0.77 JAK2 (0.56) JAK2HDAC1JAK3
SCHEMBL13467178 0.75 TBK1 (0.52) ZAP70JAK2MYLK4STK17ACLK4
SCHEMBL12801273 0.75 JAK2 (0.78) SMG1JAK2CDK1CDK2HDAC1
SCHEMBL10080355 0.74 TBK1 (0.59) ZAP70SMG1JAK2CDK1CDK2
SCHEMBL13253335 0.74 JAK2 (0.63) ZAP70JAK2CDK2HDAC1TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 US claimed
EP-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 EP claimed
CN-104030990-A PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY 2014-09-10 CN claimed
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-09 US claimed
CN-101861313-A Phenylaminopyrimidine compounds and their use CYTOPIA RES PTY LTD 2010-10-13 CN claimed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 US claimed
EP-2152701-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF Cytopia Research Pty Ltd (AU) 2010-02-17 EP claimed
WO-2008109943-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF CYTOPIA RESEARCH PTY LTD (AU) 2008-09-18 WO claimed
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof SIERRA ONCOLOGY, INC. (US) 2022-12-08 US disclosed
US-20210309615-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2021-10-07 US disclosed
EP-3023422-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2016-05-25 EP disclosed
US-9233934-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2016-01-12 US disclosed
US-20140005180-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-02 US disclosed
US-8486941-B2 Phenyl amino pyrimidine compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2013-07-16 US disclosed
US-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2010-08-05 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 (5 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-20100197671-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 ZAP70 23/4885SMG1 915/4885JAK2 1/4885
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 ZAP70 23/4885SMG1 915/4885JAK2 1/4885
US-20210309615-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 ZAP70 23/4885SMG1 915/4885JAK2 1/4885
US-20220388967-A1 Phenyl Amino Pyrimidine Compounds and Uses Thereof JAK2, JAK1, JAK3 ZAP70 23/4885SMG1 915/4885JAK2 1/4885
US-20140005180-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 ZAP70 23/4885SMG1 915/4885JAK2 1/4885

“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.