SCHEMBL2378639

SCHEMBL2378639

c1ccc(CNC2CCCC3(CC3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.50
OPRM1 P35372 2/20 0.49
OPRL1 P41146 2/20 0.49
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
FABP6 P51161 1/20 0.45
EPHX1 P07099 1/20 0.44
HPGD P15428 1/20 0.44
FYN P06241 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41

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
SCHEMBL26347105 0.83 OPRM1 (0.51) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL2376300 0.83 OPRM1 (0.51) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL24350665 0.83 GRIN2B (0.49) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL13622714 0.79 GRIN2B (0.45) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL2954218 0.79 GRIN2B (0.69) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL433970 0.79 GRIN2B (0.69) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL4173336 0.79 GRIN2B (0.69) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL1847296 0.77 HRH3 (0.71) GRIN2BBCHEACHEBACE1MEN1
Bromide SCHEMBL11703466 0.77 GRIN2B (0.67) GRIN2BOPRM1OPRL1BCHEACHE
Hydrochloric Acid SCHEMBL11785266 0.77 GRIN2B (0.67) GRIN2BOPRM1OPRL1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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 (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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 GRIN2B 4298/4885OPRM1 2750/4885OPRL1 3698/4885

“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.