SCHEMBL6046534

SCHEMBL6046534

O=C(C1CC1)N1CCc2nc(N3CCN(c4nc5c(c(NCc6cccc(Cl)c6)n4)CN(C(=O)C4CC4)CC5)CC3)nc(NCc3cccc(Cl)c3)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.44
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ HTR3A P46098 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ CLPP Q16740 1/20 0.40
▸ ALDH1A2 O94788 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALDH2 P05091 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ BRDT Q58F21 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PDE2A O00408 1/20 0.40

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
SCHEMBL4312591 0.80 CCR4 (0.46) —
SCHEMBL4315802 0.76 CCR4 (0.41) —
SCHEMBL4311880 0.76 GPR6 (0.39) —
SCHEMBL4318674 0.75 EPHX2 (0.45) MAPK1
SCHEMBL4324500 0.74 GPR6 (0.39) —
SCHEMBL4318806 0.71 CCR4 (0.39) ALDH1A1
SCHEMBL18895006 0.71 BRD4 (0.83) BRD4
SCHEMBL30208460 0.71 BRD4 (0.83) BRD4
SCHEMBL4325799 0.70 GPR6 (0.43) MEN1KMT2A
SCHEMBL4321806 0.69 ALDH1A1 (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 — — US disclosed
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-10-26 — — 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 (2 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-20060239999-A1 Preventive and/or therapeutic drugs for asthma GPR4, HRH4, GPR3 BRD4 296/4885PDE4A 126/4885PDE4B 150/4885
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 BRD4 795/4885PDE4A 540/4885PDE4B 736/4885

“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.

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