SCHEMBL1771508

SCHEMBL1771508

O=c1[nH]cccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.41
ULK1 O75385 2/20 0.40
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CDK9 P50750 3/20 0.37
CCNK O75909 2/20 0.37
CCND3 P30281 2/20 0.37
CDK6 Q00534 2/20 0.37
MAPK9 P45984 2/20 0.37
MAPK10 P53779 2/20 0.37
AURKA O14965 1/20 0.37
KMT2A Q03164 1/20 0.36
PIN1 Q13526 1/20 0.36
BCL6 P41182 1/20 0.36
TTBK1 Q5TCY1 1/20 0.36
TTBK2 Q6IQ55 1/20 0.36
IDH1 O75874 1/20 0.36
CDK7 P50613 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL24327589 0.79 AHR (0.50) ALKULK1CCNA2CDK2CDK9
SCHEMBL29661324 0.79 AHR (0.50) ALKULK1CCNA2CDK2CDK9
SCHEMBL2062564 0.77 IGF1R (0.54) ALKULK1CCNA2CDK2CDK9
SCHEMBL30184233 0.76 ALK (0.44) ALKULK1CCNA2CDK2CDK9
SCHEMBL24752703 0.76 ALK (0.44) ALKULK1CCNA2CDK2CDK9
SCHEMBL24620238 0.74 MAPK10 (0.43) ALKULK1CCNA2CDK2CDK9
SCHEMBL29190654 0.74 ALK (0.42) ALKULK1CCNA2CDK2CDK9
SCHEMBL2061222 0.73 ALK (0.71) ALKCDK9MAPK9MAPK10AURKA
SCHEMBL31512671 0.73 ALK (0.71) ALKCDK9MAPK9MAPK10AURKA
SCHEMBL24073485 0.73 AKT1 (0.40) ALKULK1CCNA2CDK2CDK9

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
US-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
US-8859574-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2014-10-14 US disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 US disclosed
US-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2013-11-21 US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-8519129-B2 Pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-8440681-B2 2-biphenylamino-4-aminopyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-14 US disclosed
US-8440681-B2 2-biphenylamino-4-aminopyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2013-05-14 US disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 US disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 US disclosed
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-12 US disclosed
EP-2318392-A2 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-05-11 EP disclosed
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-25 US disclosed
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-25 US disclosed
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-11-25 US disclosed
EP-2190826-A2 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 EP disclosed
WO-2010002655-A2 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-01-07 WO disclosed
WO-2009032668-A2 2 -BIPHENYLAMINO-4 -AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2009-03-12 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 (3 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-20130310361-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IGF1R, IRS1, IP6K1 ALK 4/4885ULK1 246/4885CCNA2 1244/4885
US-20100298295-A1 2-BIPHENYLAMINO-4-AMINOPYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, IGFBP1, IRS1 ALK 5/4885ULK1 323/4885CCNA2 1055/4885
US-20110112063-A1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IGF1R, TYMP, PDXK ALK 14/4885ULK1 309/4885CCNA2 1040/4885

“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.