SCHEMBL2378211

SCHEMBL2378211

COC[C@H]1CCC[C@H](N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 6/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2B P41595 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CHRM2 P08172 1/20 0.35
OPRM1 P35372 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
IKZF3 Q9UKT9 1/20 0.35

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
SCHEMBL2378210 1.00 L3MBTL1 (0.44) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL2377780 1.00 L3MBTL1 (0.44) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL2377362 0.81 L3MBTL1 (0.44) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL2377372 0.81 L3MBTL1 (0.44) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL2377366 0.81 L3MBTL1 (0.44) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL31512221 0.78 L3MBTL1 (0.44) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL7201032 0.77 ALDH1A1 (0.57) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL30212234 0.77 ALDH1A1 (0.57) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL6155394 0.73 ALDH1A1 (0.44) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1
SCHEMBL2144064 0.73 ALDH1A1 (0.44) L3MBTL1ALDH1A1ATMSMN1; SMN2NPSR1

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 L3MBTL1 3474/4885ALDH1A1 3840/4885ATM 765/4885

“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.