SCHEMBL61333

SCHEMBL61333

CSc1nc(Cl)cc(Nc2cc(C)n[nH]2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
AURKA O14965 3/20 0.44
AURKB Q96GD4 3/20 0.44
PPARA Q07869 8/20 0.36
RXRA P19793 7/20 0.36
PPARG P37231 7/20 0.36
RXRB P28702 6/20 0.36
RXRG P48443 5/20 0.36
PPARD Q03181 3/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 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
SCHEMBL13060369 0.84 MEN1 (0.37) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL14026511 0.81 PAK4 (0.38) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL30702750 0.81 PAK4 (0.38) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL3324249 0.81 MAPT (0.43) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL12102876 0.79 MEN1 (0.52) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL2713578 0.79 MEN1 (0.40) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL2957184 0.79 MEN1 (0.40) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL91111 0.79 GSK3B (0.35) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL2118821 0.77 MEN1 (0.38) KMT2AMEN1SMN1; SMN2GAAAURKA
SCHEMBL3324241 0.76 AURKA (0.44) KMT2AMEN1SMN1; SMN2GAAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954277-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2017-01-18 EP disclosed
EP-1954277-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2017-01-18 EP disclosed
EP-1948193-B1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMA (US) 2015-01-07 EP disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8637511-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-12-05 US disclosed
US-8455507-B2 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-07 US disclosed
US-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-07 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 US disclosed
CN-100340555-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2007-10-03 CN disclosed
WO-2007056164-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 WO disclosed
WO-2007056221-A2 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 WO disclosed
CN-1549812-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-11-24 CN disclosed
CN-1487933-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-04-07 CN disclosed
CN-1486312-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-03-31 CN disclosed
CN-1486311-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-03-31 CN disclosed
CN-1486310-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-03-31 CN 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-20120142660-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS ABL1, PRKDC, MAP3K5 KMT2A 913/4885MEN1 2799/4885SMN1; SMN2 2138/4885
US-20130324725-A1 AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS AURKC, AURKA, AURKB KMT2A 773/4885MEN1 1554/4885SMN1; SMN2 2078/4885
US-20070249031-A1 Aminopyrimidines useful as kinase inhibitors ABL1, PRKDC, MAP3K5 KMT2A 913/4885MEN1 2799/4885SMN1; SMN2 2138/4885

“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.