SCHEMBL1613135

SCHEMBL1613135

COc1cc(Br)cc2c1CCN2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.39
▸ HTR2C P28335 5/20 0.39
▸ HTR2B P41595 5/20 0.39
▸ ERN1 O75460 4/20 0.36
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NQO2 P16083 2/20 0.33

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
SCHEMBL6646783 0.80 ALDH1A1 (0.37) NCOA1NCOA3
SCHEMBL1880026 0.79 CYP3A4 (0.44) HTR2AHTR2CNCOA1NCOA3
SCHEMBL29507128 0.76 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL22858977 0.76 HTR2C (0.47) HTR2AHTR2CHTR2B
SCHEMBL21903886 0.76 AR (0.36) HTR2ANCOA1NCOA3
SCHEMBL31443970 0.76 ELANE (0.30) —
SCHEMBL26656341 0.76 HTR1D (0.38) L3MBTL1
Hydrochloric Acid SCHEMBL23726201 0.75 HTR2C (0.46) HTR2AHTR2CHTR2B
SCHEMBL10351350 0.74 HTR2C (0.57) HTR2AHTR2CHTR2B
SCHEMBL24304266 0.73 NOTUM (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 — — EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 — — US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 — — 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 (1 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 HTR2A 4327/4885HTR2C 4322/4885HTR2B 4129/4885

“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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