Sugi Predict

Sugi Predict / Compounds / SCHEMBL4833072

SCHEMBL4833072

SCHEMBL4833072

O=C(c1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 2/20 0.41
▸ MAP3K11 Q16584 4/20 0.40
▸ NTRK1 P04629 3/20 0.40
▸ DYRK3 O43781 2/20 0.40
▸ PRKD3 O94806 2/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ LCK P06239 2/20 0.40
▸ FYN P06241 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ LYN P07948 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ MARK3 P27448 2/20 0.40
▸ AXL P30530 2/20 0.40
▸ FLT4 P35916 2/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ FRK P42685 2/20 0.40
▸ MAPK9 P45984 2/20 0.40

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
SCHEMBL5777695 0.86 AXL (0.47) NTRK1DYRK3PRKD3MAP4K4ABL1
SCHEMBL4829063 0.84 AXL (0.48) NTRK1DYRK3PRKD3MAP4K4ABL1
SCHEMBL4831134 0.79 DYRK1A (0.42) NTRK1DYRK3PRKD3MAP4K4ABL1
SCHEMBL4827673 0.79 BCAT1 (0.42) TNIKNTRK1DYRK3PRKD3MAP4K4
SCHEMBL4832947 0.78 MAP3K11 (0.39) MAP3K11NTRK1DYRK3PRKD3MAP4K4
SCHEMBL4831549 0.77 CDK2 (0.50) TNIKNTRK1DYRK3PRKD3MAP4K4
SCHEMBL4824451 0.77 BCAT1 (0.41) TNIKNTRK1DYRK3PRKD3MAP4K4
SCHEMBL4872228 0.77 JAK2 (0.50) NTRK1DYRK3PRKD3MAP4K4ABL1
SCHEMBL14002356 0.77 MAP3K11 (0.53) MAP3K11NTRK1DYRK3PRKD3ABL1
SCHEMBL4829477 0.77 CDK2 (0.43) TNIKNTRK1DYRK3PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 — — EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 — — EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 — — US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 — — WO 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 TNIK 146/4885MAP3K11 26/4885NTRK1 1926/4885

“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.