SCHEMBL19699030

SCHEMBL19699030

CCCCN1CCNc2nc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CRHR1 P34998 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ PLK4 O00444 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ CSF1R P07333 1/20 0.31

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
SCHEMBL19699031 0.74 MEN1 (0.34) MEN1KMT2A
SCHEMBL19699029 0.74 MEN1 (0.34) MEN1KMT2A
SCHEMBL19365524 0.72 MEN1 (0.48) MEN1KMT2ASIGMAR1ALOX5HTR2A
SCHEMBL19699033 0.70 MAP4K4 (0.42) MEN1KMT2AMAP4K4
SCHEMBL29858005 0.67 HTR3E (0.32) ALDH1A1
SCHEMBL12807021 0.67 ITGAV (0.42) CETP
SCHEMBL19949967 0.65 MEN1 (0.46) MEN1KMT2AHTR1AKDM4ELMNA
SCHEMBL6221922 0.65 HTR6 (0.42) MEN1KMT2ASIGMAR1HTR1AKDM4E
SCHEMBL148599 0.65 KMT2A (0.63) MEN1KMT2ARETKDM4ELMNA
SCHEMBL1841385 0.64 KCNH2 (0.39) MEN1KMT2A

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 MEN1 3676/4885KMT2A 1438/4885CRHR1 3969/4885

“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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