SCHEMBL301633

SCHEMBL301633

CCNc1ncc(C)c(Nc2cccc3c2OCO3)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
AURKA O14965 3/20 0.41
CDK2 P24941 1/20 0.41
EPHB4 P54760 2/20 0.40
BRD4 O60885 1/20 0.39
SYK P43405 2/20 0.38
ACVRL1 P37023 1/20 0.38
STK17A Q9UEE5 1/20 0.36
MAPK3 P27361 2/20 0.36
MAPK1 P28482 2/20 0.36
JAK3 P52333 2/20 0.36
EGFR P00533 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
JAK2 O60674 1/20 0.35
MAP2K1 Q02750 1/20 0.35

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
SCHEMBL17915959 0.87 TTBK1 (0.47) TTBK1TTBK2AURKACDK2EPHB4
SCHEMBL12320917 0.84 TTBK1 (0.42) TTBK1TTBK2AURKACDK2EPHB4
SCHEMBL270593 0.84 TTBK1 (0.45) TTBK1TTBK2AURKACDK2EPHB4
SCHEMBL12279055 0.83 TTBK1 (0.50) TTBK1TTBK2AURKACDK2EPHB4
SCHEMBL265542 0.81 TTBK1 (0.48) TTBK1TTBK2AURKACDK2EPHB4
SCHEMBL12278793 0.79 EPHB4 (0.49) AURKACDK2EPHB4BRD4SYK
SCHEMBL12109324 0.79 BRD4 (0.41) TTBK1TTBK2AURKACDK2EPHB4
SCHEMBL301971 0.79 TP53 (0.43) AURKACDK2SYKJAK3EGFR
SCHEMBL301350 0.78 BRD4 (0.61) AURKABRD4STK17AMAPK1
SCHEMBL270724 0.78 SYK (0.49) AURKACDK2EPHB4BRD4SYK

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 8 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-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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 (4 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK TTBK1 1186/4885TTBK2 938/4885AURKA 745/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 TTBK1 516/4885TTBK2 429/4885AURKA 75/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 TTBK1 516/4885TTBK2 429/4885AURKA 75/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B TTBK1 66/4885TTBK2 62/4885AURKA 3934/4885

“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.