SCHEMBL754777

SCHEMBL754777

CCOC(=O)c1ccc(N)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
LMNA P02545 2/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
GABRA1 P14867 7/20 0.48
GABRG2 P18507 7/20 0.48
GABRB3 P28472 7/20 0.48
GABRA5 P31644 7/20 0.48
GABRA3 P34903 7/20 0.48
GABRA2 P47869 7/20 0.48
GABRA4 P48169 7/20 0.48
GABRA6 Q16445 7/20 0.48
GABRP O00591 6/20 0.48
GABRD O14764 6/20 0.48
GABRB1 P18505 6/20 0.48
GABRB2 P47870 6/20 0.48
GABRE P78334 6/20 0.48
GABRG1 Q8N1C3 6/20 0.48
GABRG3 Q99928 6/20 0.48
GABRQ Q9UN88 6/20 0.48

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
SCHEMBL28042930 0.84 TSHR (0.60) CYP1A2LMNACYP3A4ALDH1A1NPC1
SCHEMBL31172628 0.82 CYP1A2 (0.55) CYP1A2LMNAGABRA1GABRG2GABRB3
SCHEMBL82426 0.82 CYP1A2 (0.55) CYP1A2LMNAGABRA1GABRG2GABRB3
SCHEMBL1971939 0.81 MAPK1 (0.61) CYP1A2LMNACYP3A4MAOAGABRA1
SCHEMBL10003611 0.81 CYP1A2 (0.53) CYP1A2LMNACYP3A4GABRA1GABRG2
SCHEMBL29637478 0.81 MAPK1 (0.61) CYP1A2LMNACYP3A4MAOAGABRA1
SCHEMBL229176 0.81 CA12 (0.55) CYP1A2LMNAGABRA1GABRG2GABRB3
SCHEMBL31359497 0.80 MAPK1 (0.65) CYP1A2LMNACYP3A4GABRA1GABRG2
SCHEMBL721291 0.80 MAPK1 (0.65) CYP1A2LMNACYP3A4GABRA1GABRG2
SCHEMBL14288423 0.80 POLB (0.49) CYP1A2LMNACYP3A4MAOAGABRA1

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 164 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12606544-B2 JAK1 selective kinase inhibitor DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2026-04-21 US disclosed
EP-3956322-B1 JAK1 SELECTIVE KINASE INHIBITOR DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2025-05-14 EP disclosed
US-12281057-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-22 US disclosed
EP-3651752-B1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2024-11-20 EP disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
CN-113710664-B JAK1 selective kinase inhibitors 迪哲(江苏)医药股份有限公司 2024-01-26 CN disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20230286907-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-09-14 US disclosed
US-20040127477-A1 Heterocyclic glycyl beta-alanine derivatives G. D. SEARLE & CO. (US) 2004-07-01 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
WO-2004014904-A1 ANTIPROLIFERATIVE 2-(HETEROARYL)-AMINOTHIAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-02-19 WO disclosed
US-6689754-B1 PIPERIDINE OR PYRIDINE DERIVATIVES; ALPHA V BETA 3 INTEGRIN ANTAGONISTS G. D. SEARLE & CO. 2004-02-10 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
EP-1070060-A1 HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS G.D. Searle & Co. (US) 2001-01-24 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 WO disclosed
WO-1999052896-A1 HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-10-21 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 (6 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 CYP1A2 2573/4885LMNA 2308/4885CYP3A4 594/4885
US-20040127477-A1 Heterocyclic glycyl beta-alanine derivatives ITGB3, ITGAL, ITGB1 CYP1A2 2704/4885LMNA 972/4885CYP3A4 1724/4885
US-12606544-B2 JAK1 selective kinase inhibitor JAK1, JAK2, JAK3 CYP1A2 1967/4885LMNA 4435/4885CYP3A4 2603/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT CYP1A2 3759/4885LMNA 2516/4885CYP3A4 3770/4885
US-20230286907-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN10A CYP1A2 3138/4885LMNA 2874/4885CYP3A4 2128/4885
US-12281057-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A CYP1A2 3138/4885LMNA 2874/4885CYP3A4 2128/4885

“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.