SCHEMBL301773

SCHEMBL301773

CCNc1ncc(C)c(Nc2cccc(C(=O)N3CCCC3)c2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.60
IRAK4 Q9NWZ3 3/20 0.60
NTRK1 P04629 7/20 0.54
CCNT1 O60563 2/20 0.54
CCNE1 P24864 2/20 0.54
CDK2 P24941 2/20 0.54
CDK9 P50750 2/20 0.54
EGFR P00533 2/20 0.50
BTK Q06187 1/20 0.50
KMT2A Q03164 2/20 0.49
JAK3 P52333 2/20 0.49
TSHR P16473 1/20 0.48
SYK P43405 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
PTK2 Q05397 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
SCHEMBL17915908 0.89 IRAK4 (0.63) MAP3K7IRAK4NTRK1CCNT1CCNE1
SCHEMBL270521 0.86 IRAK4 (0.60) MAP3K7IRAK4NTRK1CCNT1CCNE1
SCHEMBL12279582 0.85 IRAK4 (0.58) MAP3K7IRAK4NTRK1CCNT1CCNE1
SCHEMBL264247 0.83 MAP3K7 (0.56) MAP3K7IRAK4NTRK1CCNT1CCNE1
SCHEMBL301348 0.83 EGFR (0.55) IRAK4NTRK1CDK2EGFRBTK
SCHEMBL305049 0.82 EGFR (0.54) EGFRBTKJAK3SYKPTK2
SCHEMBL10260767 0.82 EGFR (0.52) EGFRBTKJAK3SYKPTK2
SCHEMBL10261811 0.80 EGFR (0.52) EGFRBTKJAK3SYK
SCHEMBL305864 0.79 JAK1 (0.59) JAK3SYK
SCHEMBL271387 0.79 IRAK4 (0.59) MAP3K7IRAK4NTRK1CCNT1CCNE1

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 7 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-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-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 (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-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 MAP3K7 35/4885IRAK4 157/4885NTRK1 725/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 MAP3K7 35/4885IRAK4 157/4885NTRK1 725/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 MAP3K7 35/4885IRAK4 157/4885NTRK1 725/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B MAP3K7 1110/4885IRAK4 368/4885NTRK1 4864/4885

“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.