SCHEMBL2397578

SCHEMBL2397578

Cc1nc(Nc2cnccn2)sc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.51
CCNT1 O60563 5/20 0.51
CDK9 P50750 5/20 0.51
CDK1 P06493 4/20 0.51
CCNB1 P14635 4/20 0.51
CDK4 P11802 4/20 0.51
CCNA2 P20248 3/20 0.51
CDK7 P50613 3/20 0.51
CCNH P51946 3/20 0.51
CCNA1 P78396 2/20 0.51
KMT2A Q03164 2/20 0.47
ABL1 P00519 2/20 0.45
AURKA O14965 1/20 0.45
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CCND1 P24385 1/20 0.45
CCNE1 P24864 1/20 0.45
ABL2 P42684 1/20 0.45
GSK3B P49841 1/20 0.45
MNAT1 P51948 1/20 0.45

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
SCHEMBL2395328 0.81 KDR (0.49) CDK2CDK4KMT2AABL1KDR
SCHEMBL2399934 0.79 MEN1 (0.53) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2397191 0.79 KDR (0.45) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1888443 0.77 NPC1 (0.48) KMT2AKDRMAPTMEN1LMNA
SCHEMBL48503 0.76 MEN1 (0.65) KMT2ACDK5CDK5R1POLBMAPT
SCHEMBL1891863 0.76 KDR (0.41) KMT2AKDRMAPTMEN1LMNA
SCHEMBL2396335 0.75 PIK3CD (0.57) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2397208 0.75 PIK3CD (0.49) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2395910 0.74 MEN1 (0.60) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL3598571 0.74 MEN1 (0.52) CDK2CCNT1CDK9CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 WO 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 (1 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-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 CDK2 60/4885CCNT1 201/4885CDK9 190/4885

“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.