Sugi Predict

Sugi Predict / Compounds / SCHEMBL2377650

SCHEMBL2377650

SCHEMBL2377650

O=C(Nc1cnc2[nH]ccc2n1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.51
▸ JAK3 P52333 6/20 0.51
▸ JAK1 P23458 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ TRPV1 Q8NER1 2/20 0.45
▸ GRIK1 P39086 1/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NOX1 Q9Y5S8 1/20 0.42

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
SCHEMBL2377902 0.82 NPC1 (0.54) JAK2JAK3JAK1ALDH1A1MAPK1
SCHEMBL2377932 0.82 RAB9A (0.55) JAK2JAK3JAK1KDM4EMEN1
SCHEMBL2377031 0.79 JAK2 (0.58) JAK2JAK3JAK1MEN1KMT2A
SCHEMBL2377622 0.75 JAK2 (0.54) JAK2JAK3JAK1KDM4EMAPK1
SCHEMBL12296758 0.74 JAK3 (0.62) JAK2JAK3JAK1MAPK1
SCHEMBL2376301 0.74 JAK2 (0.58) JAK2JAK3JAK1MAPK1
SCHEMBL2378448 0.74 JAK3 (0.58) JAK2JAK3JAK1KDM4EALDH1A1
SCHEMBL2378478 0.73 JAK2 (0.52) JAK2JAK3JAK1TRPV1MAPK1
SCHEMBL12970653 0.72 JAK3 (0.59) JAK2JAK3JAK1MAPK1
SCHEMBL2378630 0.72 RAB9A (0.54) JAK2JAK3JAK1MEN1KMT2A

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
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 — — CN claimed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 — — US claimed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 — — US claimed
CN-102232076-A Pyrrolopyrazinyl urea kinase inhibitors HOFFMANN LA ROCHE 2011-11-02 — — CN disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 — — US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 — — US disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 — — US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 — — WO disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 — — US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 — — US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 — — 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 JAK2 5/4885JAK3 2/4885JAK1 1/4885

“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.