SCHEMBL16776136

SCHEMBL16776136

COc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)CCCN3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.41
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ FGFR4 P22455 2/20 0.37
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RPS6KA2 Q15349 2/20 0.35
▸ MTOR P42345 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ TGFBR2 P37173 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL16776087 0.90 EGFR (0.43) FAAHMAPTKDM4EFGFR4PIK3CA
SCHEMBL16776191 0.86 HPGD (0.35) FAAHPIK3CAHPGDMTOR
SCHEMBL16776107 0.85 RAB9A (0.37) FAAHKDM4EFGFR4
SCHEMBL16776059 0.84 CYP11B2 (0.37) FAAHKDM4EFGFR4
SCHEMBL16776016 0.83 WNT3A (0.40) MAPK1
SCHEMBL16776133 0.83 FAAH (0.38) FAAHFGFR4
SCHEMBL16776186 0.83 CYP11B2 (0.41) FAAHFGFR4HPGD
SCHEMBL16776152 0.82 FAAH (0.35) FAAHFGFR4MAPK1
SCHEMBL16776135 0.82 KDM4E (0.36) FAAHKDM4EPOLBFGFR4RPS6KA2
SCHEMBL16776140 0.81 DYRK1A (0.37) FAAHFGFR4CYP3A4

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 FAAH 977/4885MAPT 267/4885KDM4E 950/4885

“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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