SCHEMBL2490912

SCHEMBL2490912

CCCc1cc(O)n2ncnc2n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HPGD P15428 3/20 0.49
MAPK1 P28482 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ENPP1 P22413 1/20 0.37
MAPT P10636 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
SCHEMBL8943896 0.91 ATM (0.45) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL8944199 0.89 GAA (0.45) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL8944210 0.88 GAA (0.47) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL8944396 0.88 GAA (0.47) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL8943987 0.88 GAA (0.47) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL8944077 0.88 GAA (0.47) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL8944104 0.88 GAA (0.47) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL8944026 0.88 GAA (0.47) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL6931619 0.88 GAA (0.47) MEN1KMT2AHPGDMAPK1TSHR
SCHEMBL8943929 0.88 GAA (0.47) MEN1KMT2AHPGDMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216295-A1 CCR9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-5480716-A MULTILAYER ELEMENT WITH SUPPORT AND MAGNETIC LAYER WITH FERROMAGNETIC METALS FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 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-20170216295-A1 CCR9 ANTAGONIST COMPOUNDS CCR9, CCR1, CCR10 MEN1 4348/4885KMT2A 3911/4885HPGD 2884/4885

“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.