SCHEMBL10275529

SCHEMBL10275529

COc1ccc(C2=CC(=O)N3NC(C)=C(c4ccc(F)cc4F)C=C3N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
APP P05067 1/20 0.35
CYP2C19 P33261 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 1/20 0.35
AR P10275 1/20 0.35
GSK3B P49841 1/20 0.34
ALOX5 P09917 1/20 0.34
TDP2 O95551 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAOB P27338 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
SCHEMBL10275694 0.88 TDP2 (0.35) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL10275411 0.87 APP (0.37) APPTDP2
SCHEMBL10275638 0.85 KCNH2 (0.36) ARTDP2MAPK14MDM2
SCHEMBL10275773 0.83 APP (0.34) APPTDP2
SCHEMBL10275481 0.75 ADAM17 (0.35) APPTDP2
SCHEMBL10276004 0.74 KCNH2 (0.37) ARTDP2MAPK14MDM2
SCHEMBL10276350 0.73 PDE3B (0.34) ARTDP2MDM2
SCHEMBL10275499 0.71 KDM1A (0.38) ARTDP2MDM2
SCHEMBL6068558 0.70 CYP2C19 (0.55) ALDH1A1KDM4EAPPCYP2C19GSK3B
SCHEMBL10276618 0.67 KDM4E (0.35) ALDH1A1KDM4EMEN1KMT2AHPGD

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 ALDH1A1 572/4885KDM4E 3483/4885MEN1 4229/4885

“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.