SCHEMBL14737759

SCHEMBL14737759

N[C@@H]1CCCN(CC(F)(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.33
KDM1A O60341 1/20 0.32
JAK2 O60674 2/20 0.32
JAK3 P52333 2/20 0.32
JAK1 P23458 1/20 0.32
TNF P01375 1/20 0.31
IL1B P01584 1/20 0.31
PIM1 P11309 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
SCHEMBL12245493 1.00 ADORA2A (0.33) ADORA2AKDM1AJAK2JAK3JAK1
Hydrochloric Acid SCHEMBL14738232 0.98 ADORA2A (0.32) ADORA2AKDM1AJAK2JAK3JAK1
Hydrochloric Acid SCHEMBL14738192 0.98 ADORA2A (0.32) ADORA2AKDM1AJAK2JAK3JAK1
Hydrochloric Acid SCHEMBL14738190 0.98 ADORA2A (0.32) ADORA2AKDM1AJAK2JAK3JAK1
Hydrochloric Acid SCHEMBL2378908 0.98 ADORA2A (0.32) ADORA2AKDM1AJAK2JAK3JAK1
SCHEMBL22789404 0.88 KDM1A (0.33) ADORA2AKDM1A
SCHEMBL20992134 0.88 KDM1A (0.33) ADORA2AKDM1A
SCHEMBL13740262 0.88 KDM1A (0.33) ADORA2AKDM1A
SCHEMBL11971816 0.81 ADORA2A (0.37) ADORA2AKDM1A
SCHEMBL11972135 0.81 ADORA2A (0.37) ADORA2AKDM1A

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 claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
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-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 ADORA2A 4443/4885KDM1A 631/4885JAK2 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.