SCHEMBL12102752

SCHEMBL12102752

CCC(=O)Nc1ccc(Sc2nc(NCCN3CCCCC3)cc(Nc3cc(C)n[nH]3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 17/20 0.57
▸ AURKA O14965 14/20 0.57
▸ ABL1 P00519 1/20 0.53
▸ BCR P11274 1/20 0.53
▸ AURKC Q9UQB9 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ GSK3B P49841 1/20 0.44

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
SCHEMBL12338834 0.91 AURKA (0.52) AURKBAURKAABL1BCRAURKC
SCHEMBL12338847 0.90 AURKA (0.53) AURKBAURKAABL1BCRAURKC
SCHEMBL13004257 0.87 AURKB (0.57) AURKBAURKAABL1BCRAURKC
SCHEMBL12338773 0.87 AURKB (0.60) AURKBAURKAABL1BCRSRC
SCHEMBL12338787 0.85 AURKB (0.77) AURKBAURKAABL1BCRAURKC
SCHEMBL12338796 0.84 AURKB (0.57) AURKBAURKAABL1BCRAURKC
SCHEMBL12338732 0.83 AURKB (0.68) AURKBAURKAABL1BCRAURKC
SCHEMBL12338835 0.83 AURKA (0.51) AURKBAURKAABL1BCRAURKC
SCHEMBL12338811 0.82 AURKB (0.67) AURKBAURKAABL1BCRAURKC
SCHEMBL12338735 0.81 AURKB (0.78) AURKBAURKAABL1BCRAURKC

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 13 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-20110269732-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-03 — — US disclosed
US-20110269732-A1 DRUG DISCOVERY METHODS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-03 — — US 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 (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-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
US-20110269732-A1 DRUG DISCOVERY METHODS AURKB, AURKC, AURKA AURKB 1/4885AURKA 3/4885ABL1 136/4885

“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.

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