SCHEMBL2380248

SCHEMBL2380248

Brc1cc(-n2cccc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.38
RXRA P19793 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MAPK1 P28482 3/20 0.34
IDO1 P14902 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
COMT P21964 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL950968 0.80 CYP3A4 (0.52) MAPTIDO1CYP11B1CYP11B2CYP19A1
SCHEMBL5861792 0.75 UHRF1 (0.46) MAPTNPC1RAB9APOLBRXRA
SCHEMBL28047779 0.75 MAPT (0.50) MAPTNPC1RAB9APOLBMAPK1
SCHEMBL16720436 0.75 POLB (0.42) MAPTNPC1RAB9APOLBMAPK1
SCHEMBL2377719 0.75 NOTUM (0.47) MAPTNPC1RAB9ARXRAGRIN1
SCHEMBL16720051 0.75 LOX (0.44) MAPTNPC1RAB9APOLBCYP11B1
SCHEMBL2596828 0.72 MEN1 (0.49) POLBKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17828141 0.71 POLB (0.42) MAPTNPC1RAB9APOLBMAPK1
SCHEMBL4304692 0.71 VHL (0.46) MAPTNPC1RAB9APOLBMAPK1
SCHEMBL9056991 0.71 MAPT (0.37) MAPTNPC1RAB9APOLBMAPK1

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
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
CN-102803265-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2012-11-28 CN 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 MAPT 3798/4885NPC1 4757/4885RAB9A 3189/4885

“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.