SCHEMBL21208528

SCHEMBL21208528

Oc1nc2nccnc2n2c1nc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.40
▸ ALDH1A1 P00352 9/20 0.40
▸ HPGD P15428 7/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ ZAP70 P43403 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ GAA P10253 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
SCHEMBL21208539 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL21208489 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL21208492 0.81 TYMS (0.46) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL17993479 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL21208535 0.73 EGFR (0.39) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL21208511 0.71 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL21208517 0.71 HPGD (0.40) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL21208524 0.71 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL17993480 0.70 KDM4E (0.56) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL24795346 0.69 KDM4E (0.36) KDM4EALDH1A1HPGDMAPTKMT2A

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-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 — — US disclosed
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 — — US disclosed
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2019-08-01 — — 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 (3 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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 KDM4E 1957/4885ALDH1A1 1878/4885HPGD 635/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885HPGD 426/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 KDM4E 2459/4885ALDH1A1 2282/4885HPGD 1000/4885

“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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