SCHEMBL21208535

SCHEMBL21208535

Oc1nc2cncnc2n2c1nc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.39
▸ CYP1A2 P05177 11/20 0.38
▸ ALDH1A1 P00352 10/20 0.38
▸ CYP3A4 P08684 8/20 0.38
▸ CYP2C9 P11712 7/20 0.38
▸ CLK4 Q9HAZ1 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ TSHR P16473 4/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C19 P33261 8/20 0.37
▸ USP2 O75604 6/20 0.37

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
SCHEMBL21208537 0.84 EGFR (0.40) EGFRCYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL21208465 0.82 TYMS (0.47) EGFRCYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL21208489 0.80 KDM4E (0.41) ALDH1A1CLK4HSD17B10KDM4ELMNA
SCHEMBL21208524 0.77 KDM4E (0.39) ALDH1A1HSD17B10TSHRKDM4ELMNA
SCHEMBL20821379 0.73 KDM4E (0.44) EGFRCYP1A2ALDH1A1CYP3A4CLK4
SCHEMBL18057357 0.73 KDM4E (0.48) EGFRCYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL20561493 0.73 KDM4E (0.39) CYP1A2ALDH1A1CYP2C9HSD17B10KDM4E
SCHEMBL21208528 0.73 KDM4E (0.40) ALDH1A1CLK4HSD17B10KDM4ELMNA
SCHEMBL21208517 0.72 HPGD (0.40) ALDH1A1HSD17B10KDM4ELMNAMAPT
SCHEMBL21208511 0.72 KDM4E (0.45) ALDH1A1HSD17B10TSHRKDM4ELMNA

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 EGFR 2173/4885CYP1A2 651/4885ALDH1A1 1878/4885
US-20190233422-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 EGFR 3755/4885CYP1A2 2357/4885ALDH1A1 3544/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 EGFR 2394/4885CYP1A2 1418/4885ALDH1A1 2282/4885

“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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