SCHEMBL310838

SCHEMBL310838

CCNc1ncc(C)c(Nc2cccc(C3CCNCC3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.49
EGFR P00533 2/20 0.47
SYK P43405 5/20 0.46
JAK3 P52333 1/20 0.44
BRD4 O60885 2/20 0.43
HTR2C P28335 2/20 0.42
BTK Q06187 1/20 0.42
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PRKCQ Q04759 1/20 0.41
STK17A Q9UEE5 1/20 0.41
KCNH2 Q12809 4/20 0.41
MAPK3 P27361 2/20 0.41
MAPK1 P28482 2/20 0.41
AURKB Q96GD4 2/20 0.41
TNK2 Q07912 2/20 0.40

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
SCHEMBL17915902 0.88 SYK (0.49) EGFRSYKJAK3BRD4HTR2C
SCHEMBL270249 0.85 BRD4 (0.47) EGFRSYKJAK3BRD4HTR2C
SCHEMBL306756 0.82 JAK1 (0.47) CACNA2D1EGFRSYKJAK3BRD4
SCHEMBL309858 0.81 JAK1 (0.47) EGFRSYKJAK3BRD4BTK
SCHEMBL12111060 0.80 BRD4 (0.58) EGFRSYKJAK3BRD4BTK
SCHEMBL264050 0.78 BRD4 (0.66) EGFRJAK3BRD4JAK2JAK1
SCHEMBL13996505 0.77 HTR2C (0.57) CACNA2D1HTR2C
SCHEMBL305045 0.76 SYK (0.78) EGFRSYKJAK3BTK
SCHEMBL12321383 0.76 SYK (0.55) EGFRSYKJAK3BTKMERTK
SCHEMBL270738 0.76 BRD4 (0.61) EGFRSYKJAK3BRD4BTK

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
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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CACNA2D1 4854/4885EGFR 181/4885SYK 281/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 CACNA2D1 4854/4885EGFR 181/4885SYK 281/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 CACNA2D1 4854/4885EGFR 181/4885SYK 281/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 CACNA2D1 4854/4885EGFR 181/4885SYK 281/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B CACNA2D1 3126/4885EGFR 4628/4885SYK 43/4885

“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.