SCHEMBL3866428

SCHEMBL3866428

COc1cc(F)ccc1NC1=NC(=O)C(=Cc2ccc3ncncc3c2)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.41
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
ALOX5 P09917 3/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
PTK2 Q05397 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL3862770 1.00 CISD1 (0.41) CISD1DYRK1ADYRK1BMEN1KMT2A
SCHEMBL3865230 0.90 EGFR (0.46) DYRK1ADYRK1BMEN1KMT2AALOX5
SCHEMBL3864864 0.90 EGFR (0.46) DYRK1ADYRK1BMEN1KMT2AALOX5
SCHEMBL5088271 0.86 PIK3CD (0.44) CISD1DYRK1ADYRK1BMEN1KMT2A
SCHEMBL3861867 0.83 MEN1 (0.43) CISD1DYRK1ADYRK1BMEN1KMT2A
SCHEMBL3861872 0.83 MEN1 (0.43) CISD1DYRK1ADYRK1BMEN1KMT2A
SCHEMBL3861864 0.81 MEN1 (0.44) CISD1DYRK1ADYRK1BMEN1KMT2A
SCHEMBL3870857 0.76 CISD1 (0.49) CISD1MEN1KMT2AALOX5
SCHEMBL3866465 0.76 CISD1 (0.49) CISD1MEN1KMT2AALOX5
SCHEMBL3874063 0.74 CLK1 (0.35) CISD1DYRK1ADYRK1BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501428-B2 e.g. 2-(1-hydroxymethyl-2-phenyl-ethylamino)-5-[1-quinazolin-6-yl-methylidene]-thiazol-4-one; cyclin-dependent kinases (CDKs)/serine-threonine protein kinases inhibitor; antiproliferative, anticarcinogenic, antitumor agent HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US claimed
EP-1802614-A1 QUINAZOLINYLMETHYLENETHIAZOLINONES AS CDK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-07-04 EP claimed
WO-2006040050-A1 QUINAZOLINYLMETHYLENE THIAZOLINONES AS CDK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO claimed
US-20060084804-A1 Quinazoline thiazolinones CHEN LI 2006-04-20 US claimed

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-20060084804-A1 Quinazoline thiazolinones CDK1, CDK14, CDK18 CISD1 1093/4885DYRK1A 718/4885DYRK1B 959/4885

“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.