SCHEMBL20673109

SCHEMBL20673109

C=C/C=C(\C=C(/C)C#CC)Nc1ncnc2cc(OCCO)c(OCCOC)cc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.49
▸ ILK Q13418 2/20 0.47
▸ KDR P35968 3/20 0.44
▸ GAK O14976 1/20 0.44
▸ AURKB Q96GD4 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ KDM1A O60341 1/20 0.43

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
SCHEMBL20673100 0.91 EGFR (0.46) EGFRILKKDRGAKKDM1A
SCHEMBL24938199 0.79 EGFR (0.52) EGFRILKKDRGAKKDM1A
SCHEMBL22594996 0.72 EGFR (0.74) EGFRILKKDRGAKAURKB
SCHEMBL24353219 0.71 EGFR (0.55) EGFRILKKDRGAKKDM1A
SCHEMBL20673045 0.68 EGFR (0.82) EGFRILKKDRGAKAURKB
SCHEMBL19146731 0.68 EGFR (0.82) EGFRILKKDRGAKAURKB
SCHEMBL28407634 0.66 ENPP1 (0.63) EGFRKDRGAKKDM1A
SCHEMBL28412498 0.66 ENPP1 (0.63) EGFRKDRGAKKDM1A
SCHEMBL1507409 0.66 EGFR (1.00) EGFRILKKDRGAKAURKB
SCHEMBL29354959 0.66 EGFR (1.00) EGFRILKKDRGAKAURKB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710968-B2 Radiolabeled erlotinib analogs and uses thereof HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2020-07-14 — — US disclosed
US-20190023664-A1 RADIOLABELED ERLOTINIB ANALOGS AND USES THEREOF HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2019-01-24 — — 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 (2 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-10710968-B2 Radiolabeled erlotinib analogs and uses thereof EGFR, KRAS, ERBB4 EGFR 1/4885ILK 3262/4885KDR 64/4885
US-20190023664-A1 RADIOLABELED ERLOTINIB ANALOGS AND USES THEREOF EGFR, KRAS, ERBB4 EGFR 1/4885ILK 3262/4885KDR 64/4885

“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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