SCHEMBL14738482

SCHEMBL14738482

CCCC[Sn](CCCC)(CCCC)c1n[nH]c2cc(C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 7/20 0.40
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
MAP2K4 P45985 4/20 0.34
MAPK1 P28482 2/20 0.33
MAPKAPK2 P49137 2/20 0.33
MAPKAPK3 Q16644 2/20 0.33
MAPK6 Q16659 2/20 0.33
MAPKAPK5 Q8IW41 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
KIF11 P52732 1/20 0.33
SGK1 O00141 1/20 0.32
MAP2K7 O14733 1/20 0.32

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
SCHEMBL14737185 0.84 GSK3B (0.47) MEN1KMT2AMAP2K4UTS2R
SCHEMBL14737848 0.84 MAP2K4 (0.43) ITKMAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL28358722 0.80 KDM4E (0.42) MEN1ALDH1A1KMT2AMAPK1KDM4E
SCHEMBL30107987 0.77 CA12 (0.34)
SCHEMBL14738425 0.72 TSHR (0.38) HTTALDH1A1MAPK1KDM4ENPC1
SCHEMBL14737384 0.70 TTK (0.36)
SCHEMBL14737417 0.70 TLR8 (0.41) MEN1ALDH1A1KMT2AKDM4E
SCHEMBL130781 0.69 ITK (0.47) ITKMAPTMAP2K4MAPK1MAPKAPK2
SCHEMBL31552439 0.68 ITK (0.53) ITKMAP2K4MAPK1MAPKAPK2MAPKAPK3
SCHEMBL12247 0.68 ITK (0.53) ITKMAP2K4MAPK1MAPKAPK2MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
CN-104024258-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2014-09-03 CN disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 ITK 207/4885MAPT 3736/4885HTT 4233/4885

“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.