SCHEMBL14737933

SCHEMBL14737933

Cn1nc(I)c2cc(OC(F)(F)F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
MAT2A P31153 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ADRB2 P07550 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP2 O95551 1/20 0.36
GPR3 P46089 2/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
KIF11 P52732 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL14752457 0.83 ADORA2A (0.49) ELANEKDM4EADRB2F2RL3KDM4C
SCHEMBL14737228 0.82 SYK (0.41) KDM4EF2RL3
SCHEMBL14737989 0.81 ALDH1A1 (0.47) KDM4EADRB2SMN1; SMN2L3MBTL1
SCHEMBL29923672 0.81 ALDH1A1 (0.47) KDM4EADRB2SMN1; SMN2L3MBTL1
SCHEMBL14751333 0.79 ELANE (0.44) ELANEADRB2F2RL3KDM4CSMN1; SMN2
SCHEMBL14737654 0.77 CA12 (0.43)
SCHEMBL14737962 0.76 KIF11 (0.41) KDM4EHTR1AKIF11
SCHEMBL14739769 0.76 KDM4C (0.46) ELANEKDM4ECRHBPCRHR2KDM4C
SCHEMBL17686457 0.74 MEN1 (0.41) KDM4EKDM4CL3MBTL1
SCHEMBL14738036 0.72 ELANE (0.39) ELANEKDM4EADRB2F2RL3KDM4C

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 12 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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 CN 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
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US 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 ELANE 4021/4885MAT2A 2959/4885KDM4E 718/4885

“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.