SCHEMBL19699066

SCHEMBL19699066

COc1ccnc(NC(=O)N2c3nc(-c4ccnc(F)c4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.37
▸ PRKG1 Q13976 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ PRKACG P22612 1/20 0.37
▸ PRKACB P22694 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ CDK1 P06493 3/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ CDK9 P50750 3/20 0.37
▸ CDK3 Q00526 3/20 0.37
▸ CDK5 Q00535 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ CCNT1 O60563 2/20 0.37
▸ CCNB1 P14635 2/20 0.37
▸ CCNE1 P24864 2/20 0.37
▸ CCNA1 P78396 2/20 0.37

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
SCHEMBL19361172 0.89 FAAH (0.39) AKT1CDK1CDK2CDK9CDK3
SCHEMBL17618560 0.88 WNT3A (0.40) GSK3BWNT3A
SCHEMBL19699047 0.86 FGFR1 (0.40) FGFR1PHGDHNOS3NOS1NOS2
SCHEMBL19714205 0.83 NOS1 (0.40) FGFR1GSK3APHGDHNOS3NOS1
SCHEMBL17618599 0.83 CNR1 (0.37) CYP3A4WNT3A
SCHEMBL17618508 0.83 NEK2 (0.44) GSK3BGSK3ANEK2
SCHEMBL16754628 0.82 HPGDS (0.41) GSK3B
SCHEMBL17778911 0.82 ABL1 (0.36) GSK3BMAP3K12WNT3A
SCHEMBL19689785 0.82 ABL1 (0.36) GSK3BMAP3K12WNT3A
SCHEMBL19706216 0.81 NEK2 (0.44) GSK3BGSK3ANEK2

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 ROCK2 3343/4885PRKG1 1002/4885CYP3A4 2788/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ROCK2 3343/4885PRKG1 1002/4885CYP3A4 2788/4885

“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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