SCHEMBL14795142

SCHEMBL14795142

CC1CCCCC1NC(=O)c1ccc(-c2cnc3[nH]cc(C(=O)O)c3n2)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.40
JAK2 O60674 7/20 0.40
JAK1 P23458 7/20 0.40
TAS1R3 Q7RTX0 7/20 0.38
TAS1R1 Q7RTX1 7/20 0.38
TAS1R2 Q8TE23 7/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1369381 0.86 JAK3 (0.56) JAK3JAK2JAK1
SCHEMBL15755604 0.81 AKT1 (0.39) HPGDKDM4ESMN1; SMN2
SCHEMBL15755603 0.81 AKT1 (0.39) HPGDKDM4ESMN1; SMN2
SCHEMBL14795085 0.81 JAK3 (0.48) JAK3JAK2JAK1KDM4E
SCHEMBL14795091 0.81 DYRK1A (0.42) JAK3JAK2JAK1HPGDKDM4E
SCHEMBL15755400 0.80 TDP1 (0.41) JAK3JAK2JAK1HPGDKDM4E
SCHEMBL14795121 0.80 JAK3 (0.51) JAK3JAK2JAK1
SCHEMBL14795087 0.79 JAK3 (0.41) JAK3JAK2JAK1ALDH1A1
SCHEMBL14795191 0.79 JAK3 (0.39) JAK3JAK2JAK1
SCHEMBL15755925 0.79 JAK3 (0.58) JAK3JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP 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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 5/4885

“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.