SCHEMBL19699122

SCHEMBL19699122

Cc1cncc(NC(=O)N2c3nc(-c4ccnc(C)c4)ccc3N3CCC[C@H]2C3)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 11/20 0.38
▸ WDR77 Q9BQA1 11/20 0.38
▸ TSHR P16473 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ MAPT P10636 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ WNT3A P56704 1/20 0.35

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
SCHEMBL17770596 0.95 PRMT5 (0.38) PRMT5WDR77KDM4EALDH1A1HSD17B10
SCHEMBL16754293 0.95 PRMT5 (0.38) PRMT5WDR77KDM4EALDH1A1HSD17B10
SCHEMBL16754551 0.92 ROCK2 (0.38) TSHRKDM4EALDH1A1HSD17B10GRM5
SCHEMBL16754368 0.92 GRM5 (0.39) TSHRKDM4EALDH1A1HSD17B10GRM5
SCHEMBL17777142 0.92 GRM5 (0.39) TSHRKDM4EALDH1A1HSD17B10GRM5
SCHEMBL16776482 0.90 ALDH1A1 (0.42) ALDH1A1GRM5MAPTWNT3A
SCHEMBL16754299 0.88 GRM5 (0.37) TSHRKDM4EALDH1A1HSD17B10GRM5
SCHEMBL16754281 0.87 JAK2 (0.39) GRM5
SCHEMBL17618520 0.87 USP30 (0.37) GRM5GSK3BWNT3A
SCHEMBL17767975 0.87 WNT3A (0.35) GRM5WNT3A

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 PRMT5 209/4885WDR77 1434/4885TSHR 3064/4885

“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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