SCHEMBL7016542

SCHEMBL7016542

CCOC(=O)c1cc(C)nc(OC)c1N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.55
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
GLA P06280 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.43
ALOX15 P16050 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL22902580 0.80 IKBKB (0.53) IKBKBKMT2AMEN1TSHRKDM4E
SCHEMBL16401445 0.78 KDM4E (0.66) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7015986 0.77 MAPT (0.45) IKBKBKMT2AMEN1TSHRKDM4E
SCHEMBL7008118 0.77 KDM4E (0.53) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL7840880 0.76 NUDT1 (0.49) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL9271057 0.75 KMT2A (0.51) IKBKBKMT2AMEN1TSHRKDM4E
SCHEMBL24791172 0.73 NPC1 (0.49) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL14590443 0.73 HSP90AA1 (0.63) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL3713427 0.73 KDM4E (0.46) IKBKBKMT2AMEN1TSHRKDM4E
SCHEMBL3172799 0.72 IKBKB (1.00) IKBKBKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534510-B2 Anticoagulants MERCK & CO., INC. 2003-03-18 US disclosed
EP-1267876-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-01-02 EP disclosed
EP-1189618-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-06-19 EP disclosed
EP-1189618-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-03-27 EP disclosed
EP-1187616-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-03-20 EP disclosed
US-6350745-B1 DIOXO-(PYRIDOOXAZINE) DERIVATIVES; ANTICOAGULANTS; CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2002-02-26 US disclosed
US-20020006923-A1 Thrombin inhibitors MERCK & CO., INC. 2002-01-17 US disclosed
WO-2001070229-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-09-27 WO disclosed
US-6239132-B1 PREVENTING CORONARY ARTERY DISEASE, INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL, MERCK & CO., INC. 2001-05-29 US disclosed
WO-2000074682-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-12-14 WO disclosed
WO-2000064449-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-11-02 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-20020006923-A1 Thrombin inhibitors F2, F11, F12 IKBKB 480/4885KMT2A 1794/4885MEN1 1021/4885

“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.