SCHEMBL20355597

SCHEMBL20355597

O=C(Nc1cccnc1)c1cnc2ccc(N3CCCCC3C(F)(F)F)nn12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NAMPT P43490 3/20 0.40
▸ NTRK1 P04629 7/20 0.39
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ CRACR2A Q9BSW2 1/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14881516 0.97 LMNA (0.43) LMNAHSD17B10NAMPTNTRK1IRAK4
SCHEMBL14897003 0.97 LMNA (0.43) LMNAHSD17B10NAMPTNTRK1IRAK4
SCHEMBL14897267 0.84 NTRK1 (0.46) NTRK1
SCHEMBL14897331 0.84 NAMPT (0.43) LMNAHSD17B10NAMPTNTRK1IRAK4
SCHEMBL14896812 0.82 NTRK1 (0.41) NTRK1IRAK4
SCHEMBL14897739 0.82 NTRK1 (0.46) NTRK1IRAK4
SCHEMBL14897368 0.82 IRAK4 (0.46) LMNANAMPTIRAK4POLBALDH1A1
SCHEMBL14896942 0.82 IRAK4 (0.49) LMNAHSD17B10NAMPTNTRK1IRAK4
SCHEMBL14897480 0.81 IRAK4 (0.45) LMNAHSD17B10NAMPTNTRK1IRAK4
SCHEMBL14881970 0.81 NTRK1 (0.43) NTRK1IRAK4

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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — 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-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LMNA 3264/4885HSD17B10 1258/4885NAMPT 44/4885

“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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