SCHEMBL3324249

SCHEMBL3324249

Cc1cc(Nc2cc(Cl)nc(Sc3ccc(N)cc3)n2)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AURKA O14965 12/20 0.41
AURKB Q96GD4 7/20 0.41
GSK3B P49841 4/20 0.41
SRC P12931 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
ROCK2 O75116 1/20 0.36
NTRK1 P04629 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 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
SCHEMBL12102920 0.90 AURKA (0.50) MAPTAURKAAURKBGSK3BSRC
SCHEMBL2713578 0.88 MEN1 (0.40) MEN1KMT2AAURKAAURKBGSK3B
SCHEMBL3324241 0.86 AURKA (0.44) MEN1KMT2AAURKAAURKBGSK3B
SCHEMBL1532353 0.85 AURKB (0.53) AURKAAURKBGSK3BSRC
SCHEMBL2957184 0.85 MEN1 (0.40) MAPTMEN1KMT2AAURKAAURKB
SCHEMBL1078617 0.82 AURKB (0.64) AURKAAURKBGSK3BSRC
SCHEMBL61333 0.81 KMT2A (0.53) MEN1KMT2AAURKAAURKBSMN1; SMN2
SCHEMBL1054549 0.81 AURKA (0.53) AURKAAURKBSRCNTRK1
SCHEMBL648099 0.80 AURKA (0.58) AURKAAURKBGSK3BSRCNTRK1
SCHEMBL1816236 0.80 AURKB (0.55) AURKAAURKBGSK3BSRC

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779127-B2 Processes for preparing substituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-14 US disclosed
US-8268829-B2 Substituted pyrimidines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INC. (US) 2012-09-18 US disclosed
US-20100120772-A1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-05-13 US disclosed
US-20090227598-A1 Ret Tyrosine Kinase Inhibition MERCK SHARP & DOHME CORP. 2009-09-10 US disclosed
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 US disclosed
WO-2009086012-A1 AURORA INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-07-09 WO disclosed
US-7557106-B2 Substituted pyrimidines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-07 US disclosed
WO-2009063240-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF AURORA KINASE ARROW THERAPEUTICS LIMITED (GB) 2009-05-22 WO disclosed
US-20090105270-A1 Kinase inhibition and anticancer therapy BUSER-DOEPNER CAROLYN A 2009-04-23 US disclosed
US-20060270660-A1 inhibitors of FLT-3, Aurora-1, Aurora-2, and Aurora-3 protein kinases; leukemia; N-{4-[4-(5-Methyl-2H-pyrazol-3-ylmethyl)-6-(4-propyl-piperazin-1-yl)-pyrim- idin-2-ylsulfanyl]-phenyl}-propionamide VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 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-20090227598-A1 Ret Tyrosine Kinase Inhibition RET, FER, TYRO3 MAPT 2481/4885MEN1 487/4885KMT2A 292/4885
US-20090105270-A1 Kinase inhibition and anticancer therapy MAP3K20, MAP3K10, MAP3K2 MAPT 3044/4885MEN1 3576/4885KMT2A 1055/4885
US-20060270660-A1 inhibitors of FLT-3, Aurora-1, Aurora-2, and Aurora-3 protein kinases; leukemia; N-{4-[4-(5-Methyl-2H-pyrazol-3-ylmethyl)-6-(4-propyl-piperazin-1-yl)-pyrim- idin-2-ylsulfanyl]-phenyl}-propionamide FLT3, AURKA, AURKC MAPT 1559/4885MEN1 1824/4885KMT2A 251/4885
US-20100120772-A1 P38 KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 MAPT 1742/4885MEN1 4855/4885KMT2A 4492/4885
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB MAPT 982/4885MEN1 1350/4885KMT2A 1235/4885
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB MAPT 982/4885MEN1 1350/4885KMT2A 1235/4885

“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.