SCHEMBL28079307

SCHEMBL28079307

Cc1cnc(C(=O)O)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ASPH Q12797 3/20 0.44
KDM8 Q8N371 2/20 0.44
P4HTM Q9NXG6 7/20 0.44
P4HA1 P13674 1/20 0.44
MIF P14174 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HCAR2 Q8TDS4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 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
SCHEMBL29963091 0.84 ALDH1A1 (0.35) KDM4EASPHP4HTMP4HA1MIF
SCHEMBL24759811 0.84 ALDH1A1 (0.35) KDM4EASPHP4HTMP4HA1MIF
SCHEMBL7083217 0.83 KDM4E (0.50) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL28635523 0.81 KDM4E (0.48) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL29878684 0.79 MAPK1 (0.47) KDM4EALDH1A1L3MBTL1MAPK1GABRP
SCHEMBL9318758 0.78 KDM4E (0.60) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL15776540 0.76 CNR2 (0.51) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL935259 0.76 KMO (0.51) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL232024 0.76 KDM4E (0.52) KDM4EASPHKDM8P4HTMP4HA1
SCHEMBL20161506 0.76 ASPH (0.44) KDM4EASPHKDM8P4HTMP4HA1

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-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 US disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
CN-103420977-B There is the acetylene-derivative of anti-tumor activity 上海医药集团股份有限公司 2016-06-22 CN 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-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP KDM4E 3183/4885ASPH 3059/4885KDM8 3935/4885

“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.