SCHEMBL425260

SCHEMBL425260

COc1cnc2cccc(Br)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 8/20 0.49
MTNR1A P48039 6/20 0.49
EGFR P00533 2/20 0.41
PDPK1 O15530 1/20 0.39
PDGFRA P16234 3/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38
CDK7 P50613 1/20 0.38
IRAK1 P51617 1/20 0.38
NEK4 P51957 1/20 0.38
LIMK1 P53667 1/20 0.38
ACVR1 Q04771 1/20 0.38
TNK2 Q07912 1/20 0.38
DYRK1A Q13627 1/20 0.38
MAPK14 Q16539 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
SCHEMBL29923616 1.00 MTNR1B (0.49) MTNR1BMTNR1AEGFRPDPK1PDGFRA
SCHEMBL27947745 0.81 MTNR1B (0.50) MTNR1BMTNR1APDPK1PDGFRARAB9A
SCHEMBL22766493 0.81 MTNR1B (0.50) MTNR1BMTNR1AEGFRPDPK1PDGFRA
SCHEMBL3249749 0.79 MTNR1B (0.52) MTNR1BMTNR1AEGFRPDPK1PDGFRA
SCHEMBL5265681 0.79 MTNR1B (0.51) MTNR1BMTNR1AMAP4K4NPC1RAB9A
SCHEMBL24916492 0.77 CYP1A1 (0.36) MTNR1BMTNR1AEGFRPDGFRAMAP4K4
SCHEMBL29923631 0.77 CYP1A1 (0.36) MTNR1BMTNR1AEGFRPDGFRAMAP4K4
SCHEMBL21783691 0.77 MTNR1B (0.51) MTNR1BMTNR1AEGFRPDGFRADYRK3
SCHEMBL21783731 0.77 MTNR1B (0.47) MTNR1BMTNR1AEGFRPDPK1PDGFRA
SCHEMBL14400285 0.77 MTNR1B (0.64) MTNR1BMTNR1ANPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651753-A Synthetic method of 3-methoxyquinoline-5 amine 上海毕得医药科技股份有限公司 2021-11-16 CN claimed
US-12577227-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2026-03-17 US disclosed
US-12552786-B2 Inhibitors of αvβ6 integrin MORPHIC THERAPEUTIC, INC. (US) 2026-02-17 US disclosed
US-20250333371-A1 COMPOUNDS Psylo Pty Ltd (AU) 2025-10-30 US disclosed
EP-4055014-B1 PYRROLIDINE AND PIPERIDINE COMPOUNDS YUHAN CORP (KR) 2025-04-30 EP disclosed
EP-4532462-A1 COMPOUNDS Psylo Pty Ltd (AU) 2025-04-09 EP disclosed
CN-119384406-A Compounds of formula (I) 赛洛私人有限公司 2025-01-28 CN disclosed
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
WO-2023230649-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-12-07 WO disclosed
EP-1799674-A1 NEW PIPERIDINE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006099884-A1 BETA-AMINOALCOHOL ANTIBIOTICS ACTELION PERCUREX AG (CH) 2006-09-28 WO disclosed
US-20060205719-A1 Novel compounds having an antibacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR (DE) 2006-09-14 US disclosed
WO-2006038172-A1 NEW PIPERIDINE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-13 WO disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 WO disclosed
EP-1613624-A2 NOVEL COMPOUNDS HAVING AN ANTIBACTERIAL ACTIVITY Morphochem AG Aktiengesellschaft für kombinatorische Chemie (DE) 2006-01-11 EP disclosed
WO-2004089947-A2 NOVEL COMPOUNDS HAVING AN ANTIBACTERIAL ACTIVITY MORPHOCHEM AG (DE) 2004-10-21 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 (4 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-20060205719-A1 Novel compounds having an antibacterial activity TOP1, TOP2A, TOP2B MTNR1B 4307/4885MTNR1A 4496/4885EGFR 4184/4885
US-12552786-B2 Inhibitors of αvβ6 integrin ITGB6, ITGB1, ITGA6 MTNR1B 2059/4885MTNR1A 2840/4885EGFR 668/4885
US-20250333371-A1 COMPOUNDS SDHA, PYGB, SLC18A2 MTNR1B 757/4885MTNR1A 1247/4885EGFR 2773/4885
US-12577227-B2 WDR5 inhibitors and modulators WDR1, WDR5, WDR3 MTNR1B 1342/4885MTNR1A 1165/4885EGFR 3009/4885

“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.