SCHEMBL30850504

SCHEMBL30850504

CNc1ncc2nc[nH]c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ ULK1 O75385 1/20 0.31
▸ CDK1 P06493 3/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ CDK2 P24941 2/20 0.30
▸ CCNB2 O95067 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL5072697 1.00 EGFR (0.36) EGFRKDM4EALDH1A1GLAGAA
Isopropyl Alcohol SCHEMBL10551701 0.91 EGFR (0.33) EGFRCDK1AXLTYRO3MERTK
SCHEMBL5828206 0.80 KDM4E (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7522894 0.80 KDM4E (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL30677393 0.80 KDM4E (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL9356677 0.80 KDM4E (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4480587 0.80 KDM4E (0.33) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3426594 0.79 MMP12 (0.32) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6675319 0.77 MMP12 (0.30) —
SCHEMBL5196384 0.77 GDA (0.40) KDM4E

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 — — 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B EGFR 2273/4885KDM4E 4613/4885ALDH1A1 1083/4885

“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.

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