SCHEMBL7119156

SCHEMBL7119156

Clc1ncnc2c1CCOc1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPY5R Q15761 1/20 0.42
PIK3CA P42336 4/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
DYRK1A Q13627 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ALPL P05186 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
EED O75530 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL7128729 0.82 MEN1 (0.42) MEN1KMT2ANPY5RPIK3CAPIK3CD
SCHEMBL4874208 0.77 NPY5R (0.43) MEN1KMT2ANPY5RPIK3CAKDM4E
SCHEMBL7130469 0.74 DYRK1A (0.66) DYRK1AKDM4EALDH1A1LMNA
SCHEMBL9837155 0.72 DYRK1A (0.54) NPY5RDYRK1AKDM4EALDH1A1CYP19A1
SCHEMBL7124249 0.69 MEN1 (0.48) MEN1KMT2ANPY5RPIK3CAPIK3CD
SCHEMBL21822968 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13711560 0.66 DRD1 (0.37)
SCHEMBL1119025 0.66 NPY5R (0.47) MEN1KMT2ANPY5RPIK3CAPIK3CD
SCHEMBL4043939 0.65 ALPL (0.46) MEN1KMT2ANPY5RPIK3CAPIK3CD
SCHEMBL4879144 0.65 NPY5R (0.43) MEN1KMT2ANPY5RPIK3CAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5286963-A None JP disclosed
WO-2009081222-A1 SUBSTITUTED TRICYCLIC PYRIDINE OR PYRIMIDINE VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-02 WO disclosed
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed
JP-H05286963-A PYRIMIDINE DERIVATIVE AND PLATELET AGGREGATION-INHIBITING AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MECT CORP 1993-11-02 JP 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 MEN1 244/4885KMT2A 263/4885NPY5R 1066/4885

“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.