SCHEMBL4258248

SCHEMBL4258248

[CH2]C1CCN(CCC#N)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
PKM P14618 1/20 0.62
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 4/20 0.42
GAA P10253 4/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL7238032 0.79 ALDH1A1 (0.58) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL1997756 0.78 ALDH1A1 (0.62) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL4258249 0.78 ALDH1A1 (0.62) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL3442988 0.78 ALDH1A1 (0.62) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL15582714 0.78 ALDH1A1 (0.62) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL383162 0.78
SCHEMBL1344289 0.78 ALDH1A1 (1.00) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL665735 0.77 ALDH1A1 (0.33) ALDH1A1PKMMAPTJAK1JAK2
Hydrochloric Acid SCHEMBL2363319 0.77 ALDH1A1 (0.60) ALDH1A1PKMPOLBSMN1; SMN2MAPT
SCHEMBL22691916 0.77 ALDH1A1 (0.60) ALDH1A1PKMPOLBSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP claimed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US claimed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-1565475-B1 DIAZINOPYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-04-08 EP 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-6943158-B2 Diazinopyrimidines ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
EP-1565475-A1 DIAZINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-24 EP disclosed
WO-2004046152-A1 DIAZINOPYRIMIDINES F. HOFFMANN LA ROCHE AG (CH) 2004-06-03 WO 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

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-20050261284-A1 Diazinopyrimidines MAPK6, MAPK1, MAP2K6 ALDH1A1 2233/4885PKM 3230/4885POLB 3111/4885
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A ALDH1A1 187/4885PKM 377/4885POLB 1605/4885
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 ALDH1A1 1646/4885PKM 814/4885POLB 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.