SCHEMBL5733147

SCHEMBL5733147

CCOC(=O)c1sc(-c2ccncc2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 15/20 1.00
DBF4 Q9UBU7 15/20 1.00
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TRPM8 Q7Z2W7 2/20 0.59

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
SCHEMBL289730 0.88 CDC7 (0.79) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL5240574 0.87 CDC7 (1.00) CDC7DBF4KDM4ETRPM8
Hydrochloric Acid SCHEMBL289729 0.87 CDC7 (0.77) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL1316281 0.87 CDC7 (0.77) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL892889 0.87 CDC7 (0.77) CDC7DBF4KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL11121421 0.86 CDC7 (0.76) CDC7DBF4TRPM8
SCHEMBL290384 0.86 CDC7 (0.75) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL8324969 0.85 CDC7 (1.00) CDC7DBF4TRPM8
SCHEMBL2885887 0.84 TRPM8 (0.78) CDC7DBF4KDM4EALDH1A1LMNA
SCHEMBL2085303 0.84 CDC7 (0.73) CDC7DBF4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986551-B1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2006-08-02 EP disclosed
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 US disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 US disclosed
US-6359134-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-19 US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 US disclosed
CN-1311771-A Benzamidine derivative AJINOMOTO KK (JP) 2001-09-05 CN disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 EP disclosed
EP-0986551-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-22 EP disclosed
WO-1998054164-A1 SULFONAMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-03 WO disclosed
US-4528291-A 2-(4'-Pyridinyl)-thiazole compounds and their use in increasing cardiac contractility SCHERING CORPORATION (US) 1985-07-09 US disclosed
EP-0097323-A2 2-(4-Pyridyl)-thiazole derivatives SCHERING CORPORATION (US) 1984-01-04 EP 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 (2 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-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI CDC7 2468/4885DBF4 192/4885KDM4E 3660/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 CDC7 2732/4885DBF4 1260/4885KDM4E 4253/4885

“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.