SCHEMBL29376141

SCHEMBL29376141

O=Cc1ccc2nc3cncnc3nc2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.38
▸ EGFR P00533 6/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ERN1 O75460 1/20 0.30
▸ CYP2A6 P11509 4/20 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
SCHEMBL2011008 0.75 EGFR (0.55) EGFRALDH1A1CYP2A6
SCHEMBL2010333 0.75 EGFR (0.55) EGFRKDM4ECYP2A6
SCHEMBL35632 0.74 EGFR (0.54) PIK3CGEGFRKDM4EALDH1A1MAPT
SCHEMBL30124132 0.74 EGFR (0.54) PIK3CGEGFRKDM4EALDH1A1MAPT
SCHEMBL3292267 0.73 PIK3CG (0.47) PIK3CGEGFRALDH1A1
SCHEMBL31214569 0.73 NQO2 (0.50) PIK3CGEGFRKDM4EALDH1A1MAPT
SCHEMBL1378685 0.71 PIK3CG (0.46) PIK3CGEGFRALDH1A1
SCHEMBL11479229 0.69 KDM4E (0.48) EGFRKDM4EALDH1A1PTGS2RAB9A
SCHEMBL9829442 0.69 TDP1 (0.48) KDM4EALDH1A1MAPTPTGS2RAB9A
SCHEMBL11696316 0.69 ALDH1A1 (0.42) KDM4EALDH1A1MAPTPTGS2RAB9A

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-20220033405-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING PLK1 INHIBITOR AS ACTIVE INGREDIENT NATIONAL CANCER CENTER (KR) 2022-02-03 — — 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-20220033405-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING PLK1 INHIBITOR AS ACTIVE INGREDIENT PLK1, PLK2, PLK4 PIK3CG 69/4885EGFR 1397/4885KDM4E 2129/4885

“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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