SCHEMBL2379877

SCHEMBL2379877

CCCC[Sn](CCCC)(CCCC)c1cc(-n2cccc2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.34
CYP19A1 P11511 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2378165 0.82 GRM5 (0.39) HRH4MAPTKDM4ECHRNA7CHRNA10
SCHEMBL2824063 0.78 HRH4 (0.50) HRH4MAPT
SCHEMBL29851063 0.74 KDM4E (0.43) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL1671463 0.74 KDM4E (0.43) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL30275458 0.74 KDM4E (0.39) KDM4E
SCHEMBL2713981 0.73 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2D6MAPTKDM4E
SCHEMBL16584984 0.73 TLR8 (0.32) KDM4E
SCHEMBL29929888 0.73 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2D6MAPTKDM4E
SCHEMBL29738543 0.73 TLR8 (0.32) KDM4E
SCHEMBL2713106 0.73 PLAU (0.36) CYP19A1CYP3A4CYP2D6CYP2C9CYP2C19

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
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK HRH4 1985/4885CYP19A1 2864/4885CYP1A2 2492/4885

“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.