SCHEMBL5142452

SCHEMBL5142452

O=C(Nc1cccc(Cl)c1)Nc1ccc(-c2cc(CN3CCOCC3)n3ncnc(Nc4ccccc4)c23)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 4/20 0.49
MERTK Q12866 1/20 0.42
MOK Q9UQ07 2/20 0.41
NTRK2 Q16620 2/20 0.41
NTRK1 P04629 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDR P35968 5/20 0.41
EGFR P00533 4/20 0.41
BRAF P15056 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL58299 0.90 ACVRL1 (0.62) ACVRL1MERTKNTRK2NTRK1KMT2A
SCHEMBL5141804 0.87 ACVRL1 (0.45) ACVRL1MERTKMOKKMT2ALMNA
SCHEMBL58575 0.83 ACVRL1 (0.60) ACVRL1MERTKNTRK2NTRK1KMT2A
SCHEMBL57964 0.83 ACVRL1 (0.60) ACVRL1MERTKNTRK2NTRK1KDR
SCHEMBL90886 0.83 ACVRL1 (0.56) ACVRL1MERTKNTRK2NTRK1KMT2A
SCHEMBL59260 0.83 ACVRL1 (0.57) ACVRL1MERTKMOKNTRK2NTRK1
SCHEMBL27768149 0.82 ACVRL1 (0.60) ACVRL1MERTKNTRK2NTRK1KDR
SCHEMBL59318 0.81 ACVRL1 (0.58) ACVRL1MERTKNTRK2NTRK1KDR
SCHEMBL59355 0.81 ACVRL1 (0.58) ACVRL1MERTKNTRK2NTRK1LMNA
SCHEMBL58540 0.79 ACVRL1 (0.57) ACVRL1MERTKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957485-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Healthcare, LLC (US) 2008-08-20 EP claimed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
EP-1068239-A2 ANTIOXIDANT PEPTIDES DERIVED FROM APOLIPOPROTEIN A-IV UNIVERSITY OF CINCINNATI (US) 2001-01-17 EP claimed
WO-1999050286-A2 ANTIOXIDANT PEPTIDES DERIVED FROM APOLIPOPROTEIN A-IV UNIVERSITY OF CINCINNATI (US) 1999-10-07 WO claimed
US-20080020983-A1 Peptides with antioxidant and antimicrobial properties MCCORMACK FRANCIS X JR 2008-01-24 US disclosed
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
US-7273847-B2 Peptides with antioxidant and antimicrobial properties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-25 US disclosed
EP-1537065-B1 ANALOGUES OF VITAMIN D GALDERMA RES & DEV (FR) 2006-11-02 EP disclosed
EP-1303295-B1 CASEINOGLYCOMACROPEPTIDE FOR INHIBITING ADHESION OF THE PATHOGENIC FLORA OF THE SKIN NESTLE SA (CH) 2006-09-13 EP disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US disclosed
EP-1537065-A1 ANALOGUES OF VITAMIN D Galderma Research & Development, S.N.C. (FR) 2005-06-08 EP disclosed
WO-2004020379-A1 ANALOGUES OF VITAMIN D GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2004-03-11 WO disclosed
US-5935585-A Biaromatic amido compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-08-10 US disclosed
US-5905088-A SKIN DISORDERS, RHEUMATIC DISEASES, RESPIRATORY SYSTEM OR CARDIOVASCULAR DISORDERS AND OPTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-05-18 US disclosed
US-5849798-A Polyaromatic heterocyclic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-12-15 US disclosed
US-5766610-A USEFUL FOR TREATMENT OF MAMMALIAN SKIN AND HAIR, RHEUMATISM, RESIPIRATORY SYSTEM DISORDER, CARDIOVASCULAR AND VISION DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-06-16 US disclosed
US-5744499-A Apoptosis-modulating factors influencing the intracellular concentration of methional/malondialdehyde CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-04-28 US disclosed
US-5723499-A Polycyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof C.I.R.D. GALDERMA (FR) 1998-03-03 US disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 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 (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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR ACVRL1 2243/4885MERTK 4518/4885MOK 3749/4885

“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.