SCHEMBL270640

SCHEMBL270640

Cc1ccc(Nc2nc(NC(C)(C)C)ncc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.57
NPC1 O15118 1/20 0.52
SYK P43405 2/20 0.46
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
BRD4 O60885 5/20 0.44
JAK2 O60674 2/20 0.44
FLT3 P36888 2/20 0.44
STK17A Q9UEE5 4/20 0.42
ZAP70 P43403 1/20 0.41
NPY5R Q15761 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
STK17B O94768 1/20 0.40
MAPT P10636 1/20 0.40
BUB1B O60566 1/20 0.40
RET P07949 1/20 0.40
JAK1 P23458 1/20 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
SCHEMBL270633 0.88 STK17A (0.55) AURKANPC1SYKEGFRITK
SCHEMBL270190 0.88 EGFR (0.54) AURKANPC1SYKEGFRITK
SCHEMBL270653 0.86 AURKA (0.48) AURKANPC1SYKEGFRITK
SCHEMBL270778 0.86 AURKA (0.52) AURKASYKEGFRITKBRD4
SCHEMBL10260236 0.86 AURKA (0.52) AURKANPC1SYKEGFRITK
SCHEMBL270967 0.83 SYK (0.58) AURKASYKEGFRITKBRD4
SCHEMBL17915958 0.83 AURKA (0.62) AURKASYKEGFRITKJAK2
SCHEMBL270630 0.82 STK17A (0.56) AURKANPC1SYKBRD4STK17A
SCHEMBL270641 0.82 AURKA (0.48) AURKASYKBRD4STK17AJAK1
SCHEMBL656192 0.81 AURKA (0.69) AURKASYKEGFRITKSTK17A

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 12 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-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-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-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
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 (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 AURKA 745/4885NPC1 3924/4885SYK 59/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 AURKA 75/4885NPC1 4069/4885SYK 281/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 AURKA 75/4885NPC1 4069/4885SYK 281/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 AURKA 75/4885NPC1 4069/4885SYK 281/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 AURKA 75/4885NPC1 4069/4885SYK 281/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B AURKA 3934/4885NPC1 3427/4885SYK 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.