SCHEMBL5417588

SCHEMBL5417588

Nc1ccc(I)c2ccoc12

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 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
SCHEMBL24752718 0.74 CYP3A4 (0.33) KDM4EALDH1A1LMNACYP3A4HPGD
SCHEMBL17774720 0.74 IDO1 (0.45) KDM4EALDH1A1CYP3A4HPGDSMN1; SMN2
SCHEMBL31417703 0.74 HTR2A (0.32) —
SCHEMBL31364787 0.74 NR4A2 (0.35) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7064960 0.74 IDO1 (0.50) KDM4EALDH1A1LMNACYP3A4HPGD
SCHEMBL22595265 0.69 KCNA2 (0.34) KDM4EALDH1A1LMNACYP3A4HPGD
SCHEMBL13255241 0.69 HSP90AB1 (0.35) —
SCHEMBL25033145 0.69 — —
SCHEMBL658316 0.69 IDO1 (0.33) —
SCHEMBL4416706 0.69 HTR2A (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158394-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-05-16 — — US disclosed
WO-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed
WO-2022253081-A1 PHOSPHINE OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 希格生科(深圳)有限公司 2022-12-08 — — WO disclosed
US-20070191346-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB 2007-08-16 — — US disclosed
US-7173136-B2 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2007-02-06 — — US disclosed
US-20050282856-A1 3-Cyano-quinoline derivatives ASTRAZENECA AB (SE) 2005-12-22 — — US disclosed
EP-1575943-A1 3-CYANO-QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2005-09-21 — — EP disclosed
WO-2004041811-A1 3-CYANO-QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2004-05-21 — — 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 (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-20050282856-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 KDM4E 1779/4885ALDH1A1 1113/4885LMNA 422/4885
US-20240158394-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 KDM4E 3421/4885ALDH1A1 4648/4885LMNA 212/4885
US-20070191346-A1 3-Cyano-quinoline derivatives MKI67, CCNA1, CCNT1 KDM4E 1779/4885ALDH1A1 1113/4885LMNA 422/4885

“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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