SCHEMBL6525601

SCHEMBL6525601

CCN1CCNC(=O)C1c1ccc(NC(C)c2nc(Br)c[nH]c2=O)cc1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CALCRL Q16602 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
SCHEMBL1204895 0.71 BTK (0.40)
SCHEMBL6525604 0.70 BTK (0.35) CALCRL
SCHEMBL1204289 0.68 CYP19A1 (0.37) ALDH1A1CALCRL
SCHEMBL3698523 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1205561 0.64 KMT2A (0.41) POLBALDH1A1
SCHEMBL29037697 0.63 USP2 (0.32)
SCHEMBL17970213 0.62 KMT2A (0.35) ALDH1A1
SCHEMBL8390402 0.59 ALDH1A1 (0.36) POLBALDH1A1CALCRL
SCHEMBL19545087 0.58 BTK (0.49)
SCHEMBL161076 0.58 BTK (0.49)

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-8247550-B2 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. (US) 2012-08-21 US disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 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-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 POLB 2798/4885ALDH1A1 3393/4885CALCRL 2538/4885

“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.