SCHEMBL17817050

SCHEMBL17817050

COC(=O)c1c(-c2ccccc2)cc2nccn2c1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
RECQL P46063 2/20 0.45
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
MAP4K4 O95819 2/20 0.43
CSF1R P07333 2/20 0.43
PRKACA P17612 2/20 0.43
KDR P35968 2/20 0.43
CDK8 P49336 2/20 0.43
MAP2K1 Q02750 2/20 0.43
ACVR1 Q04771 2/20 0.43
MAP4K2 Q12851 2/20 0.43
ROCK1 Q13464 2/20 0.43
DYRK1A Q13627 2/20 0.43

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
SCHEMBL17817127 0.98 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL23016695 0.86 GABRG2 (0.40) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL17817364 0.84 L3MBTL1 (0.41) MAP4K4CSF1RPRKACAKDRCDK8
SCHEMBL17817363 0.83 SYK (0.48) MEN1KMT2AMAPTALDH1A1MAP4K4
SCHEMBL23016668 0.82 MAP4K2 (0.42) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL17816987 0.76 GABRA1 (0.44) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL441940 0.74 KDR (0.49) MAPTALDH1A1GABRG2GABRB3GABRA3
SCHEMBL17817365 0.72 KDM4E (0.52) MEN1KMT2AMAPTALDH1A1DYRK1A
SCHEMBL24460391 0.71 GABRA1 (0.45) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL19697765 0.71 DAPK3 (0.41) MEN1KMT2AMAPTALDH1A1TDP1

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 MEN1 4785/4885KMT2A 411/4885MAPT 4762/4885

“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.