SCHEMBL20074288

SCHEMBL20074288

O=c1cc(-c2ccccc2)[nH]c2ncnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
HPGD P15428 4/20 0.50
TP53 P04637 4/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
PKM P14618 2/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
NOX4 Q9NPH5 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40

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
SCHEMBL20074201 0.86 CDC7 (0.40) KDM4EHPGDTP53HSD17B10ALDH1A1
SCHEMBL20074186 0.85 KIT (0.41) KDM4EHPGDHSD17B10ALDH1A1LMNA
SCHEMBL20074296 0.85 CHEK1 (0.42) KDM4EHPGDTP53HSD17B10ALDH1A1
SCHEMBL20074290 0.84 EGLN2 (0.48) NPC1RAB9AMEN1KMT2AGSK3A
SCHEMBL31677015 0.84 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL15659549 0.81 ALDH1A1 (0.51) KDM4EHPGDTP53HSD17B10ALDH1A1
SCHEMBL31677033 0.81 TSHR (0.36) KDM4EHPGDTP53HSD17B10ALDH1A1
SCHEMBL20074292 0.80 MEN1 (0.47) KDM4EHPGDTP53HSD17B10ALDH1A1
SCHEMBL2197782 0.80 LMNA (0.47) HPGDLMNAPKMNPC1TDP1
SCHEMBL31676996 0.78 TSHR (0.34) ALDH1A1TDP1TSHR

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-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071283-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 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 (2 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-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM4E 11/4885HPGD 3907/4885TP53 1241/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM4E 11/4885HPGD 3907/4885TP53 1241/4885

“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.