SCHEMBL1532405

SCHEMBL1532405

Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(N)cc3)n2)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.62
NTRK1 P04629 6/20 0.62
AURKB Q96GD4 11/20 0.57
ABL1 P00519 2/20 0.54
BCR P11274 2/20 0.54
EGFR P00533 3/20 0.54
PLK4 O00444 2/20 0.54
AURKC Q9UQB9 2/20 0.54
BMPR1B O00238 1/20 0.54
STK25 O00506 1/20 0.54
RIOK3 O14730 1/20 0.54
CHEK1 O14757 1/20 0.54
GAK O14976 1/20 0.54
MUSK O15146 1/20 0.54
EPHB6 O15197 1/20 0.54
PDPK1 O15530 1/20 0.54
MAP3K13 O43283 1/20 0.54
DAPK3 O43293 1/20 0.54
MAP3K7 O43318 1/20 0.54
NUAK1 O60285 1/20 0.54

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
SCHEMBL2712009 0.94 AURKA (0.59) AURKANTRK1AURKBABL1BCR
SCHEMBL1532377 0.92 AURKA (0.55) AURKANTRK1AURKBABL1BCR
SCHEMBL1054549 0.92 AURKA (0.53) AURKANTRK1AURKBABL1BCR
SCHEMBL4367242 0.91 AURKA (0.55) AURKANTRK1AURKBABL1BCR
Cyclopropane Carboxylic Acid SCHEMBL2496532 0.90 AURKA (0.60) AURKANTRK1AURKBABL1BCR
SCHEMBL1954399 0.89 AURKA (0.59) AURKANTRK1AURKBABL1BCR
SCHEMBL12338758 0.87 AURKA (0.77) AURKANTRK1AURKBABL1BCR
SCHEMBL2712007 0.87 AURKA (0.59) AURKANTRK1AURKBABL1BCR
SCHEMBL2713050 0.86 AURKA (0.57) AURKANTRK1AURKBABL1BCR
SCHEMBL2201772 0.85 AURKA (0.52) AURKANTRK1AURKBABL1BCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-10662195-B2 Protein kinase conjugates and inhibitors CELGENE CAR LLC (BM) 2020-05-26 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors CELGENE CAR LLC (BM) 2017-06-22 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-9556426-B2 Protein kinase conjugates and inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2017-01-31 US disclosed
US-20160153052-A1 MARKER TO PREDICT AND MONITOR RESPONSE TO AURORA KINASE B INHIBITOR THERAPY ABBVIE INC. (US) 2016-06-02 US disclosed
US-8779127-B2 Processes for preparing substituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
WO-2010028236-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-03-11 WO 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-20090105270-A1 Kinase inhibition and anticancer therapy BUSER-DOEPNER CAROLYN A 2009-04-23 US disclosed
EP-1746093-A1 Process for preparing substituted pyrimidines Vertex Pharmaceuticals Incorporated (US) 2007-01-24 EP 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
US-20040049032-A1 Processes for preparing substituted pyrimidines VERTEX PHARMACEUTICALS INCORPORATED 2004-03-11 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 (7 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-20090105270-A1 Kinase inhibition and anticancer therapy MAP3K20, MAP3K10, MAP3K2 AURKA 168/4885NTRK1 1031/4885AURKB 68/4885
US-20170174691-A1 Protein Kinase Conjugates and Inhibitors MAP3K20, ADK, TTK AURKA 31/4885NTRK1 1586/4885AURKB 43/4885
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 AURKA 2/4885NTRK1 873/4885AURKB 12/4885
US-20090221602-A1 PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES AURKA, AURKC, AURKB AURKA 1/4885NTRK1 1305/4885AURKB 3/4885
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR AURKA 47/4885NTRK1 3951/4885AURKB 36/4885
US-20040049032-A1 Processes for preparing substituted pyrimidines AURKA, AURKC, AURKB AURKA 1/4885NTRK1 1305/4885AURKB 3/4885
US-10662195-B2 Protein kinase conjugates and inhibitors MAP3K20, ADK, TTK AURKA 31/4885NTRK1 1586/4885AURKB 43/4885

“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.