SCHEMBL3795112

SCHEMBL3795112

CCOC(=O)c1cc2ccnc(Cl)c2nc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
NPSR1 Q6W5P4 1/20 0.49
IDO1 P14902 1/20 0.47
MAPT P10636 1/20 0.45
NFKB1 P19838 3/20 0.43
ATF1 P18846 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 1/20 0.41
P2RY12 Q9H244 4/20 0.41
CASP1 P29466 1/20 0.41
JUN P05412 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29447312 1.00 KDM4E (0.51) KDM4ENPSR1IDO1MAPTNFKB1
SCHEMBL3803556 0.88 KDM4E (0.53) KDM4ENPSR1IDO1MAPTNFKB1
SCHEMBL29076989 0.82 KDM4E (0.50) KDM4ENPSR1IDO1MAPTNFKB1
SCHEMBL3788631 0.82 ALDH1A1 (0.49) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL22902619 0.81 KDM4E (0.47) KDM4EMAPTNFKB1ALDH1A1HPGD
SCHEMBL29523018 0.81 KDM4E (0.47) KDM4EMAPTNFKB1ALDH1A1HPGD
SCHEMBL29522648 0.81 KDM4E (0.47) KDM4EMAPTNFKB1ALDH1A1HPGD
SCHEMBL29076990 0.79 KDM4E (0.52) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL29076952 0.78 KDM4E (0.51) KDM4ENPSR1IDO1MAPTALDH1A1
SCHEMBL127164 0.78 KDM4E (0.54) KDM4ENPSR1IDO1MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 WO disclosed
WO-2010112826-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-10-07 WO 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-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 KDM4E 412/4885NPSR1 2227/4885IDO1 13/4885

“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.