SCHEMBL2379073

SCHEMBL2379073

CC1CCC(C)(C)CC1NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 4/20 0.52
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
EBP Q15125 1/20 0.41
GRIN2B Q13224 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL2378764 0.85 FUCA1 (0.49) FUCA1KDM1AMAOAOPRM1OPRL1
SCHEMBL7213327 0.80 OPRM1 (0.57) OPRM1OPRL1GRIN2BBCHEACHE
SCHEMBL14418800 0.76 KDM4E (0.56) FUCA1KDM1AMAOAGRIN2BKDM4E
SCHEMBL13259009 0.76 KDM4E (0.56) FUCA1KDM1AMAOAGRIN2BKDM4E
SCHEMBL21744620 0.76 OPRM1 (0.65) OPRM1OPRL1GRIN2BBCHEACHE
SCHEMBL12203638 0.76 KDM4E (0.56) FUCA1KDM1AMAOAGRIN2BKDM4E
SCHEMBL15489529 0.76 KDM4E (0.56) FUCA1KDM1AMAOAGRIN2BKDM4E
SCHEMBL12460806 0.76 KDM4E (0.56) FUCA1KDM1AMAOAGRIN2BKDM4E
SCHEMBL25069529 0.75 FUCA1 (0.72) FUCA1KDM1AMAOAGRIN2B
SCHEMBL18828620 0.75 FUCA1 (0.72) FUCA1KDM1AMAOAGRIN2B

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
CN-102232076-B Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2014-12-31 CN disclosed
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 FUCA1 4039/4885KDM1A 669/4885MAOA 3886/4885

“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.