SCHEMBL25984073

SCHEMBL25984073

CCCc1ccc2[nH]cnc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 3/20 0.43
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK14 Q16539 1/20 0.37
CDK2 P24941 4/20 0.35
JAK2 O60674 2/20 0.35
ROCK2 O75116 2/20 0.35
PIM1 P11309 2/20 0.35
GSK3B P49841 2/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
CHEK2 O96017 1/20 0.35
MARK3 P27448 1/20 0.35
GSK3A P49840 1/20 0.35
LIMK1 P53667 1/20 0.35
CDK5 Q00535 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
AURKB Q96GD4 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35

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
SCHEMBL23554436 0.85 ALDH1A1 (0.41) POLA1ALDH1A1KDM4EMAPK14CDK2
SCHEMBL18937619 0.79 ALDH1A1 (0.37) POLA1ALDH1A1KDM4EMAPK14CDK2
SCHEMBL19629639 0.79 KDM4E (0.37) POLA1ALDH1A1KDM4EMAPK14CDK2
SCHEMBL26199736 0.79 ALDH1A1 (0.37) POLA1ALDH1A1KDM4EMAPK14CDK2
SCHEMBL4717573 0.74 POLA1 (0.36) POLA1ALDH1A1KDM4EMAPK14CDK2
SCHEMBL11077322 0.73 ALDH1A1 (0.50) POLA1ALDH1A1KDM4ECDK2ADORA3
SCHEMBL23420496 0.73 KDM4E (0.34) ALDH1A1KDM4EKDM5B
SCHEMBL14930380 0.72 ALDH1A1 (0.44) POLA1ALDH1A1KDM4EMAPK14CDK2
SCHEMBL2008301 0.70 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK14CDK2CDK1
SCHEMBL17776531 0.69 GDA (0.46) KDM4EROCK2ROCK1ADORA3CTSA

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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
EP-3870578-B1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LTD (GB) 2023-08-16 EP disclosed
WO-2023073364-A1 TETRAHYDROISOQUINOLINE COMPOUNDS THAT ARE KEAP1 BINDERS C4X DISCOVERY LIMITED (GB) 2023-05-04 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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 POLA1 689/4885ALDH1A1 1946/4885KDM4E 2305/4885

“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.