SCHEMBL216844

SCHEMBL216844

O=C1NCNC12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.38
HSD17B10 Q99714 1/20 0.33
CRBN Q96SW2 1/20 0.31

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
Hydrochloric Acid SCHEMBL8811823 0.98 NEK2 (0.36) NEK2HSD17B10CRBN
SCHEMBL23268287 0.82 NEK2 (0.38) NEK2HSD17B10CRBN
SCHEMBL26271431 0.81 CCNC (0.31)
Hydrochloric Acid SCHEMBL7484202 0.79 CCNC (0.30)
SCHEMBL24090043 0.79 PDE7A (0.32)
SCHEMBL4842009 0.76
SCHEMBL2168757 0.76 CCNC (0.32)
SCHEMBL23009433 0.75
Hydrochloric Acid SCHEMBL5941102 0.74
SCHEMBL10375357 0.74

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 221 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076059-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 WO claimed
US-9267122-B2 Modulation of phospholipase D for the treatment of neurodegenerative disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-02-23 US claimed
EP-1931680-A1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
WO-2007039438-A1 INDOL-3-YL-CARBONYL-AZASPIRO DERIVATIVES AS VASOPRESSIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
EP-1569933-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SmithKline Beecham Corporation (US) 2005-09-07 EP claimed
WO-2004055016-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO claimed
US-12612395-B2 Rocaglate derivatives and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2026-04-28 US disclosed
EP-4584254-A1 ISOQUINOLONES AS PI3K INHIBITORS OnKure, Inc. (US) 2025-07-16 EP disclosed
WO-2025076059-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 WO disclosed
US-20250115593-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 US disclosed
WO-2025038395-A1 BENZOPYRIDINONES AND BENZOPYRIMIDINONES AS PI3K INHIBITORS ONKURE, INC. (US) 2025-02-20 WO disclosed
US-20250034193-A1 PHENOTHIAZINE DERIVATIVES AND USES THEREOF CAMP4 THERAPEUTICS CORPORATION 2025-01-30 US disclosed
US-12145963-B2 Phenothiazine derivatives and uses thereof CAMP4 THERAPEUTICS CORPORATION (US) 2024-11-19 US disclosed
WO-1995022544-A2 SUBSTITUTED 1,3,8-TRIAZA-SPIRO(4,5)-DECAN-4-ONE DERIVATIVES USEFUL AS PRELIMINARY STAGES IN THE PRODUCTION OF PHARMACEUTICALS CIS BIO INTERNATIONAL (FR) 1995-08-24 WO disclosed
EP-0594593-A1 THERAPEUTICALLY USEFUL HETEROCYCLIC INDOLE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1994-05-04 EP disclosed
US-5302599-A Administering for central nervous system and cardiovascular disorders THE UPJOHN COMPANY (US) 1994-04-12 US disclosed
EP-0539803-A1 Triazospirodecanone-methyl-chromans for the treatment of central nervous system illnesses BAYER AG (DE) 1993-05-05 EP disclosed
WO-1991013872-A1 THERAPEUTICALLY USEFUL HETEROCYCLIC INDOLE COMPOUNDS THE UPJOHN COMPANY (US) 1991-09-19 WO disclosed
US-4213963-A Fluspirilene-containing compositions JANSSEN PHARMACEUTICA N.V. (BE) 1980-07-22 US disclosed
US-4020072-A PSYCHOTROPIC E. R. SQUIBB & SONS, INC. (US) 1977-04-26 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 (4 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-12612395-B2 Rocaglate derivatives and uses thereof GLRB, SRR, HCAR3 NEK2 3741/4885HSD17B10 162/4885CRBN 1060/4885
US-20250115593-A1 ROCAGLATE DERIVATIVES AND USES THEREOF ACSL3, ADSL, ACSL6 NEK2 4550/4885HSD17B10 357/4885CRBN 3641/4885
US-12145963-B2 Phenothiazine derivatives and uses thereof RPLP2, RPS2, RPLP1 NEK2 555/4885HSD17B10 3795/4885CRBN 458/4885
US-20250034193-A1 PHENOTHIAZINE DERIVATIVES AND USES THEREOF RPLP2, RPS2, RPLP1 NEK2 555/4885HSD17B10 3795/4885CRBN 458/4885

“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.