SCHEMBL14738425

SCHEMBL14738425

CCCC[Sn](CCCC)(CCCC)c1n[nH]c2c(C)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.36
CHEK1 O14757 1/20 0.35
AHR P35869 1/20 0.34
ELANE P08246 1/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
KIF11 P52732 1/20 0.33
MAPK10 P53779 1/20 0.33
RIPK1 Q13546 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PBRM1 Q86U86 1/20 0.32
EGFR P00533 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
SCHEMBL28358722 0.78 KDM4E (0.42) TSHRTP53RAB9AKDM4ENPC1
SCHEMBL14738015 0.76 BACE1 (0.31)
SCHEMBL14738346 0.75
SCHEMBL14738017 0.74
SCHEMBL14738482 0.72 ITK (0.40) RAB9AKDM4ENPC1ALDH1A1KIF11
SCHEMBL31319295 0.69 NOS3 (0.38) RAB9AKDM4ENPC1MAPK1CYP1A2
SCHEMBL1278237 0.69 NOS3 (0.38) RAB9AKDM4ENPC1MAPK1CYP1A2
SCHEMBL1453805 0.69 TLR8 (0.36) TSHRTP53ALDH1A1HTR2ACYP1A2
SCHEMBL13226859 0.68 AHR (0.46) TSHRCHEK1AHRRAB9AKDM4E
SCHEMBL14737185 0.68 GSK3B (0.47) TP53CHEK1ALOX15SMN1; SMN2

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 TSHR 2932/4885TP53 2681/4885CHEK1 1685/4885

“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.