SCHEMBL20733238

SCHEMBL20733238

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(F)ccn2)[C@H]2CCCN3C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK14 Q16539 4/20 0.37
▸ MAPK8 P45983 3/20 0.37
▸ MAPK10 P53779 3/20 0.37
▸ CDK1 P06493 3/20 0.36
▸ CDK2 P24941 3/20 0.36
▸ CDK9 P50750 3/20 0.36
▸ CDK3 Q00526 3/20 0.36
▸ CDK5 Q00535 3/20 0.36
▸ CCNT1 O60563 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCNE1 P24864 2/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ CCNA1 P78396 2/20 0.36

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
SCHEMBL16754477 0.89 WNT3A (0.40) MAPK1GSK3BWNT3A
SCHEMBL16754411 0.89 GRM5 (0.42) HCRTR1GSK3BABL1WNT3A
SCHEMBL17778888 0.87 PIM1 (0.38) MAPK1ABL1WNT3A
SCHEMBL17618513 0.87 HCRTR1 (0.42) HCRTR1MAPK1ABL1WNT3A
SCHEMBL17778228 0.87 GRM5 (0.37) HCRTR1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL16754401 0.87 GRM5 (0.37) HCRTR1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL16754299 0.87 GRM5 (0.37) HCRTR1MAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL16754282 0.86 KARS1 (0.40) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL17778323 0.86 KARS1 (0.40) MAPK1KDM4EHSD17B10ALDH1A1TSHR
SCHEMBL16754551 0.86 ROCK2 (0.38) HCRTR1MAPK1KDM4EHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HCRTR1 2441/4885MAPK1 1369/4885KDM4E 1291/4885

“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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