SCHEMBL6068655

SCHEMBL6068655

NC(=O)Cn1ncc(N)c1N(CCO)CCO

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
TSHR P16473 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
SCHEMBL6068547 0.88 LMNA (0.31) LMNAKDM4EMAPK1TSHR
SCHEMBL6068685 0.88 KMO (0.36) LMNAKDM4E
SCHEMBL6068734 0.85 KMO (0.31) KDM4E
SCHEMBL6068949 0.83 LMNA (0.34) LMNAKDM4EMAPK1TSHR
SCHEMBL6068684 0.79 LMNA (0.36) ABL1BCRLMNAKDM4EMAPK1
SCHEMBL6068926 0.75
SCHEMBL6068921 0.75 MAPT (0.33)
SCHEMBL6068718 0.75 KMO (0.36) LMNAKDM4E
SCHEMBL6068760 0.75
SCHEMBL1803436 0.74 TSHR (0.38) ABL1BCRLMNAKDM4EMAPK1

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-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed
US-20040088802-A1 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL S.A. (FR) 2004-05-13 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-20040088802-A1 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres CBR3, CBR1, CYB5R3 ABL1 3322/4885BCR 2541/4885LMNA 992/4885

“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.