SCHEMBL14738014

SCHEMBL14738014

CC(C)(N)CCCn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(OC(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 18/20 0.57
KCNH2 Q12809 6/20 0.57
CYP2D6 P10635 3/20 0.57
CYP2C9 P11712 3/20 0.55
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 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
SCHEMBL14738617 0.91 SYK (0.55) SYKKCNH2CYP2D6CYP2C9CNR1
SCHEMBL14738639 0.90 SYK (0.70) SYKKCNH2CYP2D6CYP2C9CNR1
SCHEMBL14739213 0.90 SYK (0.56) SYKKCNH2CYP2D6CYP2C9LMNA
SCHEMBL14738667 0.90 SYK (0.61) SYKKCNH2CYP2D6CYP2C9LMNA
SCHEMBL14737166 0.86 SYK (0.49) SYKKCNH2CYP2D6CYP2C9
SCHEMBL14751432 0.85 SYK (0.61) SYKKCNH2CYP2D6CYP2C9CNR1
SCHEMBL14738021 0.84 SYK (0.52) SYKKCNH2CYP2D6CYP2C9
SCHEMBL14738503 0.83 SYK (0.82) SYKKCNH2CYP2D6CYP2C9
SCHEMBL14737885 0.82 SYK (0.60) SYKKCNH2CYP2D6CYP2C9CNR1
SCHEMBL14738813 0.81 SYK (0.57) SYKKCNH2CYP2D6CYP2C9

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 11 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
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
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 SYK 1/4885KCNH2 3389/4885CYP2D6 2796/4885

“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.