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SCHEMBL1369292

SCHEMBL1369292

C[C@H](NC(=O)c1c[nH]c2ncc(-c3ccc(C(=O)NCc4cccc(C(F)(F)F)c4)s3)nc12)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.46
▸ JAK1 P23458 6/20 0.46
▸ JAK3 P52333 6/20 0.46
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DHFR P00374 1/20 0.39
▸ SYK P43405 4/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ DDR2 Q16832 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL12147952 0.89 JAK3 (0.47) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL1369763 0.89 JAK2 (0.52) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL1369049 0.88 JAK2 (0.49) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL12148001 0.88 JAK2 (0.49) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL14795079 0.88 MEN1 (0.44) MEN1KMT2ADHFRCCR1CYP2D6
SCHEMBL1370909 0.87 JAK3 (0.50) JAK2JAK1JAK3SYKCYP2D6
SCHEMBL1370498 0.86 JAK2 (0.49) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL12148303 0.86 JAK2 (0.50) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL1369771 0.86 JAK2 (0.50) JAK2JAK1JAK3SYKCYP2C9
SCHEMBL12148308 0.85 JAK3 (0.49) JAK2JAK1JAK3SYKCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 — — US claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 — — US disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 — — US disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 — — WO disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 — — WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 — — US disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 — — US disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 — — 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 (2 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 JAK2 3/4885JAK1 5/4885JAK3 7/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK2 3/4885JAK1 5/4885JAK3 7/4885

“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.