SCHEMBL353774

SCHEMBL353774

NC(=O)c1cccnc1N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.60
RPS6KB1 P23443 1/20 0.60
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
MAPK1 P28482 1/20 0.50
KMT2A Q03164 2/20 0.49
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CHIA Q9BZP6 1/20 0.45
IKBKB O14920 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PARP1 P09874 1/20 0.44
SYK P43405 1/20 0.44
KDM4E B2RXH2 1/20 0.44
STK4 Q13043 1/20 0.44

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
Hydrochloric Acid SCHEMBL21358085 0.98 AURKA (0.59) AURKARPS6KB1CYP1A2CYP2C9MAPK1
SCHEMBL353809 0.86 KMT2A (0.65) AURKARPS6KB1CYP1A2CYP2C9MAPK1
SCHEMBL29574622 0.86 KMT2A (0.65) AURKARPS6KB1CYP1A2CYP2C9MAPK1
SCHEMBL883905 0.86 KMT2A (0.58) CYP1A2CYP2C9KMT2AALDH1A1MEN1
SCHEMBL29108445 0.85 CYP1A2 (0.54) AURKARPS6KB1CYP1A2CYP2C9MAPK1
SCHEMBL28189129 0.84 KMT2A (0.60) CYP1A2CYP2C9KMT2AALDH1A1MEN1
SCHEMBL18394741 0.84 CHIA (0.54) AURKARPS6KB1CYP1A2CYP2C9MAPK1
SCHEMBL29737588 0.83 AURKA (0.50) AURKARPS6KB1CYP1A2CYP2C9MAPK1
SCHEMBL3137773 0.82 KMT2A (0.46) AURKARPS6KB1CYP1A2CYP2C9KMT2A
SCHEMBL28573049 0.82 CYP1A2 (0.48) AURKARPS6KB1CYP1A2CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2018-07-05 US claimed
US-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2025-04-24 US disclosed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain ARENA PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US disclosed
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 US disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed
US-6596773-B2 Central nervous system disorders HOFFMANN-LA ROCHE INC. 2003-07-22 US 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 (11 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-20250129044-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B AURKA 2309/4885RPS6KB1 920/4885CYP1A2 284/4885
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS AURKA 2093/4885RPS6KB1 2363/4885CYP1A2 2085/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 AURKA 4734/4885RPS6KB1 2243/4885CYP1A2 802/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 AURKA 1051/4885RPS6KB1 547/4885CYP1A2 1120/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 AURKA 4873/4885RPS6KB1 1572/4885CYP1A2 1130/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 AURKA 1628/4885RPS6KB1 1000/4885CYP1A2 1108/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 AURKA 2601/4885RPS6KB1 981/4885CYP1A2 2151/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 AURKA 4877/4885RPS6KB1 1142/4885CYP1A2 1255/4885
US-20230033510-A1 Compounds and Methods for Treatment of Visceral Pain VIP, FABP2, FABP6 AURKA 3718/4885RPS6KB1 1554/4885CYP1A2 1572/4885
US-20180186739-A1 SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 AURKA 2219/4885RPS6KB1 216/4885CYP1A2 1974/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B AURKA 2309/4885RPS6KB1 920/4885CYP1A2 284/4885

“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.