SCHEMBL14738599

SCHEMBL14738599

Cc1nc2c(nc1-c1nn(C)c3ccc(S(C)(=O)=O)cc13)c(C(=O)O)cn2COC(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL18524434 0.87 SYK (0.39) CA12CA9KDM4ELMNAHTT
SCHEMBL14737597 0.84 KDM4C (0.36) KDM4ELMNAMEN1KMT2A
SCHEMBL14738583 0.79 SYK (0.40) LMNAMEN1KMT2APTGS2
SCHEMBL14746784 0.73 SYK (0.40) KDM4E
SCHEMBL14743711 0.72 SYK (0.54)
SCHEMBL14746431 0.72 KDM4C (0.38) CA12CA9KDM4EMEN1KMT2A
SCHEMBL18524444 0.71 NPC1 (0.33) LMNAMEN1KMT2A
SCHEMBL14738404 0.69 SYK (0.51)
SCHEMBL14746309 0.68 SYK (0.41) KDM4E
SCHEMBL14738009 0.66 SYK (0.40) LMNA

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 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 CA12 4590/4885CA9 4652/4885KDM4E 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.