SCHEMBL17618487

SCHEMBL17618487

COc1nccc(NC(=O)N2c3nc(-c4cccc(N5CCCC5)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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 0.36
▸ TP53BP1 Q12888 1/20 0.36
▸ EGFR P00533 5/20 0.35
▸ INSR P06213 4/20 0.35
▸ ERBB2 P04626 3/20 0.35
▸ CAMK2D Q13557 1/20 0.35
▸ NEK2 P51955 1/20 0.35
▸ IGF1R P08069 3/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34

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
SCHEMBL19699047 0.91 FGFR1 (0.40) CARM1PRMT6PRMT8POLQJAK2
SCHEMBL19706206 0.90 CA9 (0.37) EGFRNEK2ROCK2ROCK1NTRK1
SCHEMBL17618392 0.89 NTRK1 (0.39) EGFRERBB2NEK2NTRK1MAP4K1
SCHEMBL17618381 0.89 CCNE1 (0.37) EGFRINSRERBB2NEK2NTRK1
SCHEMBL17618382 0.87 CA2 (0.39) EGFRNEK2IGF1R
SCHEMBL17618481 0.87 GPR6 (0.40) —
SCHEMBL17618601 0.87 POLQ (0.38) CARM1PRMT6PRMT8POLQNEK2
SCHEMBL17618442 0.86 FAAH (0.41) CARM1PRMT6PRMT8POLQJAK2
SCHEMBL17618501 0.86 KARS1 (0.44) CARM1PRMT6PRMT8POLQJAK2
SCHEMBL17618493 0.86 DHFR (0.39) 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 9 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CARM1 860/4885PRMT6 366/4885PRMT8 309/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CARM1 803/4885PRMT6 360/4885PRMT8 356/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CARM1 803/4885PRMT6 360/4885PRMT8 356/4885

“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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