SCHEMBL19699049

SCHEMBL19699049

N#Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnc[nH]4)c2)[C@H]2CCN3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.45
▸ RPS6KA3 P51812 3/20 0.41
▸ RPS6KA2 Q15349 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ LRRK2 Q5S007 5/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 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
SCHEMBL17618479 0.87 THRB (0.42) THRBTP53
SCHEMBL17618477 0.86 BRAF (0.40) CNR1MAPTTHRBTP53LRRK2
SCHEMBL19706065 0.85 RPS6KA3 (0.38) RPS6KA3RPS6KA2CNR1MAPTSMN1; SMN2
SCHEMBL17618482 0.84 HDAC2 (0.39) CNR1MAPTTHRBTP53LRRK2
SCHEMBL17618486 0.83 LRRK2 (0.38) TP53LRRK2JAK2JAK1USP30
SCHEMBL16238326 0.82 CACNA1G (0.40) CNR1MAPTTHRBLRRK2USP30
SCHEMBL17770603 0.82 CACNA1G (0.40) CNR1MAPTTHRBLRRK2USP30
SCHEMBL17618505 0.82 CACNA1G (0.40) CNR1MAPTTHRBLRRK2USP30
SCHEMBL17618489 0.82 THRB (0.44) THRBTP53LRRK2USP30
SCHEMBL17618483 0.81 KDM1A (0.37) CNR1MAPTTHRBTP53LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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 (2 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 IDO1 1229/4885RPS6KA3 2368/4885RPS6KA2 2318/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDO1 1229/4885RPS6KA3 2368/4885RPS6KA2 2318/4885

“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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