SCHEMBL19699040

SCHEMBL19699040

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cnc(OC[C@H](O)CO)cn2)[C@H]2CCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ NEK2 P51955 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ RAF1 P04049 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
SCHEMBL17618758 0.90 WNT3A (0.35) RAF1
SCHEMBL17624555 0.90 KDM1A (0.35) CA9RAF1
SCHEMBL19689755 0.83 KIF18A (0.34) RAF1
SCHEMBL19689757 0.83 KIF18A (0.34) RAF1
SCHEMBL16238670 0.82 GRM5 (0.34) EGFRRAF1
SCHEMBL19736200 0.82 CNR2 (0.38) —
SCHEMBL17618465 0.82 FAAH (0.38) PIK3CANEK2MTOR
SCHEMBL17618452 0.82 MAPK14 (0.35) PIK3CANEK2MTOR
SCHEMBL19689733 0.81 RAF1 (0.33) RAF1
SCHEMBL19689734 0.81 RAF1 (0.33) RAF1

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA9 4248/4885PIK3CA 3691/4885EGFR 3224/4885

“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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