SCHEMBL20733261

SCHEMBL20733261

Cc1cccc(-c2cc(C)c3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCCN3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ HTR2A P28223 5/20 0.41
▸ HTR2C P28335 5/20 0.41
▸ BTK Q06187 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL17769501 0.89 GRM5 (0.43) KMT2AHTR2AHTR2CBTKALDH1A1
SCHEMBL17778627 0.89 GRM5 (0.43) KMT2AHTR2AHTR2CBTKALDH1A1
SCHEMBL19699052 0.89 HTR2A (0.44) KMT2AHTR2AHTR2CBTKTSHR
SCHEMBL19699063 0.89 HTR2A (0.44) KMT2AHTR2AHTR2CBTKTSHR
SCHEMBL16754430 0.85 HTR2A (0.39) KMT2AHTR2AHTR2CALDH1A1
SCHEMBL17778649 0.84 GRM5 (0.41) HTR2AHTR2CPIM1ABL1BCR
SCHEMBL19689690 0.84 GRM5 (0.41) HTR2AHTR2CPIM1ABL1BCR
SCHEMBL19699039 0.83 HTR2C (0.46) HTR2AHTR2CALDH1A1MAPTABL1
SCHEMBL17618725 0.80 ALDH1A1 (0.43) KMT2AHTR2AHTR2CBTKALDH1A1
SCHEMBL17618673 0.79 PIM3 (0.47) HTR2AHTR2CBTKALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — 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 (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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1870/4885HTR2A 4669/4885HTR2C 4746/4885

“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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