SCHEMBL14738417

SCHEMBL14738417

C[C@H](NC(=O)OC(C)(C)C)c1ncc(C(F)(F)F)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TRPA1 O75762 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SSTR3 P32745 1/20 0.37
DGAT1 O75907 4/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 2/20 0.35
MAPT P10636 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
EPHX2 P34913 1/20 0.33
MAPK1 P28482 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
SCHEMBL14738416 1.00 KMT2A (0.40) KMT2ATRPA1TSHRHSD17B10SSTR3
SCHEMBL6258324 0.82 KMT2A (0.42) KMT2ATRPA1TSHRHSD17B10SSTR3
SCHEMBL6258317 0.82 KMT2A (0.42) KMT2ATRPA1TSHRHSD17B10SSTR3
Hydrochloric Acid SCHEMBL27978859 0.81 MMP2 (0.40) KMT2ATRPA1TSHRHSD17B10SSTR3
Hydrochloric Acid SCHEMBL14738248 0.81 MMP2 (0.40) KMT2ATRPA1TSHRHSD17B10SSTR3
SCHEMBL14738789 0.79 MMP2 (0.40) KMT2ATRPA1TSHRHSD17B10SSTR3
SCHEMBL27979022 0.79 MMP2 (0.40) KMT2ATRPA1TSHRHSD17B10SSTR3
SCHEMBL20630809 0.78 SSTR3 (0.52) KMT2ATSHRHSD17B10SSTR3ALDH1A1
SCHEMBL18481909 0.76 SSTR3 (0.60) SSTR3ATMMAPT
SCHEMBL15710994 0.76 SSTR3 (0.46) KMT2ATRPA1TSHRHSD17B10SSTR3

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 9 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
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
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO 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

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 KMT2A 1627/4885TRPA1 4079/4885TSHR 2932/4885

“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.