SCHEMBL3339210

SCHEMBL3339210

[CH2]C1CCN(CC(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.39
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
SCN9A Q15858 1/20 0.33
RAD52 P43351 1/20 0.33
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL5472061 0.82 KDM4E (0.56) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1008455 0.80 KDM4E (0.59) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1007625 0.80 KDM4E (0.54) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL1010044 0.80 KDM4E (0.54) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL6215711 0.80 HSD17B10 (0.48)
SCHEMBL20527173 0.79 L3MBTL1 (0.59) KDM4EPOLBSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6526883 0.79 KDM4E (0.48) KDM4ETSHRPOLBPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL14311866 0.78 KDM4E (0.52) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL11265 0.78 KDM4E (0.52) KDM4ETSHRPOLBPKMSMN1; SMN2
SCHEMBL5307853 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 WO claimed
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 WO disclosed
US-8399667-B2 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20130005727-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2013-01-03 US disclosed
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2010-06-17 US disclosed
EP-1565475-B1 DIAZINOPYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB 2008-10-30 US disclosed
CN-100357293-C Diazinopyrimidines HOFFMANN LA ROCHE (CH) 2007-12-26 CN disclosed
CN-1714093-A Diazinopyrimidines HOFFMANN LA ROCHE (CH) 2005-12-28 CN disclosed
US-20050261284-A1 Diazinopyrimidines CHEN JIAN J 2005-11-24 US disclosed
US-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ASTRAZENECA AB (SE) 2005-09-29 US disclosed
US-6943158-B2 Diazinopyrimidines ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
CN-1171889-C Heteroalkylamino-substituted bicyclic nitrogen heterocycles as inhibitors of P38 protein kinase - 2004-10-20 CN disclosed
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions HOFFMANN-LA ROCHE INC. 2004-05-20 US disclosed
CN-1382144-A Heteroalkylamino-substituted bicyclic nitrogen heterocycles as inhibitors of P38 protein kinase HOFFMANN LA ROCHE (CH) 2002-11-27 CN 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 (6 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-20130005727-A1 QUINAZOLINE DERIVATIVES ABL1, ERBB2, EGFR KDM4E 2153/4885TSHR 980/4885POLB 2443/4885
US-20050215574-A1 4-anilino quinazoline derivatives as antiproliferative agents ERBB2, ERBB4, EGFR KDM4E 1814/4885TSHR 940/4885POLB 1916/4885
US-20050261284-A1 Diazinopyrimidines MAPK6, MAPK1, MAP2K6 KDM4E 4239/4885TSHR 1040/4885POLB 3111/4885
US-20080269487-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR KDM4E 1814/4885TSHR 940/4885POLB 1916/4885
US-20100152442-A1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ERBB2, ERBB4, EGFR KDM4E 1814/4885TSHR 940/4885POLB 1916/4885
US-20040097493-A1 For preparing medicaments useful for the therapy of the p38 MAP kinase and FGFR kinase mediated diseases and conditions FGFR1, MAPK1, FGF1 KDM4E 4627/4885TSHR 3516/4885POLB 3135/4885

“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.