SCHEMBL270468

SCHEMBL270468

Cc1cnc(NC(C)(C)C)nc1Nc1nccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.42
CYP2A6 P11509 1/20 0.40
AURKA O14965 2/20 0.38
SYK P43405 1/20 0.38
FDPS P14324 1/20 0.36
MAPK3 P27361 1/20 0.36
ULK1 O75385 1/20 0.36
ITK Q08881 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC2A1 P11166 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
BTK Q06187 1/20 0.34
JAK3 P52333 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL17915938 0.85 EGFR (0.44) EGFRCYP2A6AURKASYKFDPS
SCHEMBL270620 0.83 ULK1 (0.54) EGFRAURKASYKMAPK3ULK1
SCHEMBL306611 0.82 EGFR (0.42) EGFRCYP2A6AURKASYKFDPS
SCHEMBL12279479 0.81 EGFR (0.47) EGFRCYP2A6FDPSSLC2A1CNR2
SCHEMBL270903 0.79 EGFR (0.45) EGFRCYP2A6FDPSCYP3A4SLC2A1
SCHEMBL270190 0.78 EGFR (0.54) EGFRAURKASYKITKRAB9A
SCHEMBL2622211 0.77 CYP2A6 (0.50) EGFRCYP2A6FDPSCYP3A4TSHR
SCHEMBL34467229 0.75 EGFR (0.56) EGFRCYP2A6FDPSCYP3A4TSHR
SCHEMBL6175758 0.75 EGFR (0.56) EGFRCYP2A6FDPSCYP3A4TSHR
SCHEMBL270643 0.74 MAPK3 (0.39) EGFRAURKASYKMAPK3ULK1

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 14 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-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-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-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-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 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 (6 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 EGFR 335/4885CYP2A6 2691/4885AURKA 745/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 EGFR 181/4885CYP2A6 1775/4885AURKA 75/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 EGFR 181/4885CYP2A6 1775/4885AURKA 75/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 EGFR 181/4885CYP2A6 1775/4885AURKA 75/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 EGFR 181/4885CYP2A6 1775/4885AURKA 75/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B EGFR 4628/4885CYP2A6 3610/4885AURKA 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.