SCHEMBL19699050

SCHEMBL19699050

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncc2)[C@@H]2CCCN3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CA9 Q16790 1/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ NT5E P21589 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ FRK P42685 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ NEK4 P51957 1/20 0.36

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
SCHEMBL19699052 0.91 HTR2A (0.44) KMT2ATSHRCNR1BTKALDH1A1
SCHEMBL19699063 0.91 HTR2A (0.44) KMT2ATSHRCNR1BTKALDH1A1
SCHEMBL17618635 0.90 CNR1 (0.42) KMT2AMEN1CNR1FAAHPIM3
SCHEMBL16775769 0.89 CNR1 (0.40) KMT2ATSHRCA9CNR1SMN1; SMN2
SCHEMBL17624591 0.87 IDH2 (0.42) KMT2AMEN1TSHRCA9BTK
SCHEMBL19365635 0.87 IDH2 (0.42) KMT2AMEN1TSHRCA9BTK
SCHEMBL16249947 0.87 IDH2 (0.42) KMT2AMEN1TSHRCA9BTK
SCHEMBL19699057 0.86 BTK (0.39) KMT2ATSHRBTKFAAHEGFR
SCHEMBL19699051 0.86 FAAH (0.39) KMT2ATSHRCNR1FAAHPIM3
SCHEMBL19699039 0.85 HTR2C (0.46) ALDH1A1MAPTUSP2

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KMT2A 1438/4885MEN1 3676/4885TSHR 3064/4885

“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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