SCHEMBL16776211

SCHEMBL16776211

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cnn(C)c2)CCCN3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 4/20 0.43
▸ RPS6KA2 Q15349 1/20 0.42
▸ MAPK1 P28482 1/20 0.38
▸ BUB1 O43683 1/20 0.37
▸ BTK Q06187 3/20 0.36
▸ WNT3A P56704 2/20 0.36
▸ CSF1R P07333 5/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ KIT P10721 4/20 0.35
▸ PDGFRB P09619 3/20 0.35
▸ PDGFRA P16234 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ ABL1 P00519 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
SCHEMBL16776226 0.86 HTR2C (0.45) RPS6KA3MAPTABL1
SCHEMBL16776212 0.86 NOTUM (0.39) RPS6KA3WNT3AABL1
SCHEMBL16775911 0.85 RPS6KA3 (0.43) RPS6KA3RPS6KA2MAPK1
SCHEMBL19365813 0.85 RPS6KA3 (0.36) RPS6KA3RPS6KA2MAPK1BUB1BTK
SCHEMBL16776025 0.84 CYP11B2 (0.38) MAPK1WNT3ACYP11B2PSEN1PSEN2
SCHEMBL16775998 0.84 RPS6KA3 (0.42) RPS6KA3RPS6KA2KITABL1
SCHEMBL16776016 0.83 WNT3A (0.40) MAPK1WNT3ACYP11B2ABL1
SCHEMBL16775852 0.83 NTRK1 (0.41) RPS6KA3RPS6KA2CSF1RKIT
SCHEMBL16776013 0.82 FGFR4 (0.44) RPS6KA3RPS6KA2MAPK1WNT3A
SCHEMBL19670622 0.82 CSF1R (0.40) RPS6KA3RPS6KA2MAPK1BUB1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RPS6KA3 2368/4885RPS6KA2 2318/4885MAPK1 2404/4885

“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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