SCHEMBL12338787

SCHEMBL12338787

CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCCCC3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 15/20 0.77
AURKA O14965 13/20 0.77
ABL1 P00519 2/20 0.66
BCR P11274 2/20 0.66
PLK4 O00444 2/20 0.53
AURKC Q9UQB9 2/20 0.53
BMPR1B O00238 1/20 0.53
STK25 O00506 1/20 0.53
RIOK3 O14730 1/20 0.53
CHEK1 O14757 1/20 0.53
GAK O14976 1/20 0.53
MUSK O15146 1/20 0.53
EPHB6 O15197 1/20 0.53
PDPK1 O15530 1/20 0.53
MAP3K13 O43283 1/20 0.53
DAPK3 O43293 1/20 0.53
MAP3K7 O43318 1/20 0.53
NUAK1 O60285 1/20 0.53
JAK2 O60674 1/20 0.53
ERN1 O75460 1/20 0.53

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
SCHEMBL12338791 0.94 AURKB (0.74) AURKBAURKAABL1BCRPLK4
SCHEMBL12338729 0.93 AURKB (0.79) AURKBAURKAABL1BCRPLK4
SCHEMBL12338799 0.93 AURKB (0.73) AURKBAURKAABL1BCRPLK4
SCHEMBL1080455 0.92 AURKB (0.78) AURKBAURKAABL1BCRPLK4
SCHEMBL12338735 0.92 AURKB (0.78) AURKBAURKAABL1BCRPLK4
SCHEMBL12338805 0.92 AURKB (0.67) AURKBAURKAABL1BCRPLK4
SCHEMBL12338772 0.92 AURKB (0.78) AURKBAURKAABL1BCRPLK4
SCHEMBL12102779 0.91 AURKB (0.70) AURKBAURKAABL1BCRPLK4
SCHEMBL12338732 0.91 AURKB (0.68) AURKBAURKAABL1BCRPLK4
SCHEMBL12338817 0.91 AURKB (0.66) AURKBAURKAABL1BCRPLK4

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-9382229-B2 Compounds and methods of use thereof for treating neurodegenerative disorders THE JOHNS HOPKINS UNIVERSITY (US) 2016-07-05 US disclosed
US-8779127-B2 Processes for preparing substituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20140187540-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING NEURODEGENERATIVE DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-03 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-8268829-B2 Substituted pyrimidines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INC. (US) 2012-09-18 US disclosed
WO-2012112674-A2 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING NEURODEGENERATIVE DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2012-08-23 WO disclosed
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 US disclosed
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 US disclosed
US-7557106-B2 Substituted pyrimidines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-07 US disclosed
US-7557106-B2 Substituted pyrimidines useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-07 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 (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-20140187540-A1 COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING NEURODEGENERATIVE DISORDERS CLN6, NLN, HTT AURKB 4124/4885AURKA 4696/4885ABL1 4186/4885
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB AURKB 3/4885AURKA 1/4885ABL1 58/4885
US-20130066069-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB AURKB 3/4885AURKA 1/4885ABL1 58/4885

“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.