SCHEMBL16776131

SCHEMBL16776131

Cn1cc(-c2ccc3c(n2)N(C(=O)Nc2cccnc2)CCCN3)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.45
▸ HTR2C P28335 6/20 0.43
▸ HTR2A P28223 4/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL16776223 0.90 HTR2C (0.40) HTR2CHTR2ARPS6KA3MAPKAPK2
SCHEMBL16776255 0.85 HTR2C (0.46) HTR2CHTR2ARPS6KA3MAPKAPK2
SCHEMBL16776252 0.85 CYP2D6 (0.44) HTR2CHTR2ALRRK2MAPTNPC1
SCHEMBL16776219 0.84 HTR2C (0.43) HTR2CHTR2AMAPTNPC1RAB9A
SCHEMBL16776226 0.84 HTR2C (0.45) HTR2CHTR2AMAPTMEN1CYP1A2
SCHEMBL16776241 0.84 HTR2C (0.44) HTR2CHTR2A
SCHEMBL16776092 0.84 FGFR4 (0.44) RPS6KA3
SCHEMBL16775910 0.83 TSHR (0.48) HTR2CHTR2AMAPTTP53RPS6KA3
SCHEMBL16776146 0.83 HTR2C (0.48) HTR2CHTR2A
SCHEMBL16776222 0.81 HTR2C (0.42) HTR2CHTR2ARPS6KA3MAPKAPK2

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 MCL1 316/4885HTR2C 4651/4885HTR2A 4386/4885

“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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