SCHEMBL19669060

SCHEMBL19669060

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccnc(Br)c2)[C@H]2CCN3C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ KMO O15229 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LIMK2 P53671 2/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MCL1 Q07820 1/20 0.34

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
SCHEMBL19669059 0.89 USP2 (0.40) CA9KDM4EALDH1A1HSD17B10USP2
SCHEMBL17624646 0.88 CA2 (0.42) CA9KDM4EALDH1A1HSD17B10USP2
SCHEMBL19669061 0.85 LIMK2 (0.36) CA9USP2TDP1LIMK2PI4KB
SCHEMBL19699039 0.85 HTR2C (0.46) ALDH1A1USP2MAPT
SCHEMBL19699050 0.84 KMT2A (0.41) CA9ALDH1A1USP2EGFRTSHR
SCHEMBL16775782 0.84 GRM5 (0.39) CA9USP2KMOEGFR
SCHEMBL16754671 0.84 HRH3 (0.38) KDM4EALDH1A1HSD17B10HRH3
SCHEMBL19706206 0.82 CA9 (0.37) CA9KDM4EALDH1A1HSD17B10USP2
SCHEMBL19699058 0.82 USP2 (0.35) CA9USP2TDP1TSHRMAPT
SCHEMBL19699694 0.82 KDM4E (0.47) KDM4EALDH1A1HSD17B10USP2MAPT

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA9 4248/4885KDM4E 950/4885ALDH1A1 1726/4885

“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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