SCHEMBL19699047

SCHEMBL19699047

COc1ccnc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.40
▸ NEK2 P51955 1/20 0.38
▸ PHGDH O43175 2/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ PRMT8 Q9NR22 1/20 0.38
▸ POLQ O75417 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ MAP3K12 Q12852 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MET P08581 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 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
SCHEMBL17618487 0.91 CARM1 (0.38) NEK2CARM1PRMT6PRMT8POLQ
SCHEMBL17618442 0.88 FAAH (0.41) NEK2CARM1PRMT6PRMT8POLQ
SCHEMBL17618501 0.88 KARS1 (0.44) CARM1PRMT6PRMT8POLQJAK2
SCHEMBL17618445 0.87 VCP (0.44) CARM1PRMT6PRMT8JAK2CAMK2D
SCHEMBL17618601 0.87 POLQ (0.38) NEK2CARM1PRMT6PRMT8POLQ
SCHEMBL19699066 0.86 ROCK2 (0.37) FGFR1NEK2PHGDHMAP3K12NOS3
SCHEMBL17618508 0.85 NEK2 (0.44) NEK2MAPTTSHRPIK3CAMTOR
SCHEMBL17618493 0.84 DHFR (0.39) CARM1PRMT6PRMT8POLQJAK2
SCHEMBL17778888 0.83 PIM1 (0.38) JAK2MAP3K12MTOR
SCHEMBL19361169 0.83 SMPD3 (0.35) CARM1PRMT6PRMT8POLQJAK2

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 FGFR1 1247/4885NEK2 2615/4885PHGDH 1138/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FGFR1 1247/4885NEK2 2615/4885PHGDH 1138/4885

“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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