SCHEMBL6476856

SCHEMBL6476856

CC(C)(C)OC(=O)NCc1cnc(C#N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
NAMPT P43490 2/20 0.44
NSD2 O96028 1/20 0.42
CYP3A4 P08684 1/20 0.40
DYRK1A Q13627 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
SYK P43405 1/20 0.39
GAA P10253 1/20 0.39
KDM4A O75164 1/20 0.39
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL2586677 0.82 L3MBTL1 (0.52) L3MBTL1NAMPTNSD2CYP3A4DYRK1A
Hydrochloric Acid SCHEMBL6969707 0.81 L3MBTL1 (0.51) L3MBTL1NAMPTNSD2CYP3A4DYRK1A
SCHEMBL1585183 0.81 STK17B (0.52) L3MBTL1NAMPTCYP3A4DYRK1AMAPT
SCHEMBL22828603 0.80 SYK (0.42) L3MBTL1NAMPTNSD2CYP3A4DYRK1A
SCHEMBL16829208 0.79 L3MBTL1 (0.48) L3MBTL1NAMPTCYP3A4DYRK1AMAPT
SCHEMBL8200759 0.79 MAPKAPK2 (0.38) L3MBTL1NAMPTNSD2KDM4ELMNA
SCHEMBL21880312 0.79 CA12 (0.53) CYP3A4TDP1GAASTK17BSTK17A
SCHEMBL6485195 0.78 L3MBTL1 (0.47) L3MBTL1NAMPTCYP3A4DYRK1AMAPT
SCHEMBL22828610 0.78 DYRK1A (0.44) L3MBTL1NAMPTNSD2DYRK1ACTSS
SCHEMBL19234753 0.77 NAMPT (0.51) L3MBTL1NAMPTCYP3A4DYRK1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023077129-A1 TETRAZINE CONJUGATES FOR IN VIVO TARGETED DELIVERY OF A PAYLOAD TAMBO, INC. (US) 2023-05-04 WO disclosed
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
CN-1198839-C Novel dipeptide amidines as thrombin inhibitors AIBET GMBH & CO KG (DE) 2005-04-27 CN disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
CN-1175953-A Novel dipeptide amidines as thrombin inhibitors BASF AG (DE) 1998-03-11 CN disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 L3MBTL1 521/4885NAMPT 2398/4885NSD2 3405/4885

“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.