SCHEMBL5036846

SCHEMBL5036846

Cc1cn(C)c2ccn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
BRD4 O60885 1/20 0.31
KDM6A O15550 1/20 0.30
KDM4A O75164 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM5C P41229 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
DOHH Q9BU89 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL5486456 0.74 PRKCI (0.36)
SCHEMBL22729417 0.70 BRD4 (0.44) KDM4EBRD4KDM6AKDM4ACYP2C9
SCHEMBL10531179 0.69 GPR3 (0.38) KDM4EAPOBEC3AAPOBEC3GBRD4
SCHEMBL16382719 0.68 KDM4E (0.38) KDM4EAPOBEC3AAPOBEC3GKDM6AKDM4A
SCHEMBL5041694 0.67 LPO (0.44) KDM4EAPOBEC3AAPOBEC3GKDM6AKDM4A
SCHEMBL17879710 0.66 BRD4 (0.41) KDM4EBRD4KDM6AKDM4ACYP2C9
SCHEMBL14981460 0.62 F2RL1 (0.36) KDM4EAPOBEC3AAPOBEC3G
SCHEMBL14043783 0.62 HSD11B1 (0.34) KDM4EAPOBEC3AAPOBEC3G
SCHEMBL146530 0.62 GPR84 (0.57) KDM4E
SCHEMBL15801424 0.61 GAA (0.38) KDM4EBRD4KDM6AKDM4ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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 (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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B KDM4E 1003/4885APOBEC3A 2886/4885APOBEC3G 2456/4885

“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.