SCHEMBL300804

SCHEMBL300804

Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C#N)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
BRD4 O60885 6/20 0.43
JAK1 P23458 5/20 0.43
HDAC1 Q13547 2/20 0.43
LRRK2 Q5S007 1/20 0.43
AR P10275 1/20 0.43
STK17A Q9UEE5 3/20 0.43
AURKA O14965 1/20 0.42
JAK3 P52333 3/20 0.42
SYK P43405 2/20 0.42
SLC22A12 Q96S37 1/20 0.41
AXL P30530 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17915943 0.87 LRRK2 (0.47) GRM4BRD4JAK1LRRK2AR
SCHEMBL270630 0.86 STK17A (0.56) BRD4JAK1HDAC1STK17AAURKA
SCHEMBL12111056 0.84 BCL6 (0.52) GRM4BRD4JAK1LRRK2AR
SCHEMBL270641 0.83 AURKA (0.48) BRD4JAK1HDAC1STK17AAURKA
SCHEMBL264349 0.83 GRM4 (0.48) GRM4JAK1ARSTK17AAURKA
SCHEMBL270203 0.80 BRD4 (0.49) BRD4JAK1HDAC1STK17AAURKA
SCHEMBL270174 0.80 STK17A (0.43) BRD4JAK1HDAC1STK17AAURKA
SCHEMBL270633 0.79 STK17A (0.55) BRD4JAK1HDAC1STK17AAURKA
SCHEMBL270779 0.78 BRD4 (0.50) BRD4JAK1HDAC1STK17AAURKA
SCHEMBL270763 0.78 BRD4 (0.61) BRD4JAK1JAK3

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
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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK GRM4 1907/4885BRD4 156/4885JAK1 6/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 GRM4 2281/4885BRD4 142/4885JAK1 4/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 GRM4 2281/4885BRD4 142/4885JAK1 4/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 GRM4 2281/4885BRD4 142/4885JAK1 4/4885

“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.