Sugi Predict

Sugi Predict / Compounds / SCHEMBL5042374

SCHEMBL5042374

SCHEMBL5042374

O=C(O)c1cc(-c2cnoc2-c2cccc(F)c2F)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT1 P54687 1/20 0.45
▸ NOTUM Q6P988 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ BLVRB P30043 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ DHODH Q02127 2/20 0.35
▸ DYRK3 O43781 2/20 0.35
▸ PRKD3 O94806 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ NTRK1 P04629 2/20 0.35
▸ LCK P06239 2/20 0.35
▸ FYN P06241 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ LYN P07948 2/20 0.35
▸ SRC P12931 2/20 0.35
▸ MARK3 P27448 2/20 0.35
▸ AXL P30530 2/20 0.35

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
SCHEMBL14286122 0.86 POLB (0.48) BCAT1DYRK1ACCNCCDK8NPC1
SCHEMBL14286124 0.84 MAPK1 (0.45) BCAT1NPC1RAB9AMAPK1
SCHEMBL5047846 0.84 MAPK1 (0.47) BCAT1NPC1RAB9AMAPK1
SCHEMBL14286127 0.77 GSK3B (0.56) GSK3BNPC1RAB9AMAPK1
SCHEMBL13175847 0.76 ACMSD (0.50) NOTUMMAOABLVRBHDAC6DHODH
SCHEMBL14286125 0.74 ADORA2A (0.53) NPC1RAB9A
SCHEMBL5777695 0.71 AXL (0.47) BCAT1MAOABLVRBHDAC6DYRK3
SCHEMBL14278769 0.70 GSK3B (0.55) GSK3BNPC1RAB9AMAPK1
SCHEMBL14600755 0.70 BCAT1 (0.41) BCAT1MAOABLVRBHDAC6DHODH
SCHEMBL4831524 0.69 BCAT1 (0.47) BCAT1PIM1PIM3PIM2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 — — US disclosed
US-20060173055-A1 (4-(4-(2,3-difluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-pyrrol-2-yl)(2H-pyrrol-1(5H)-yl)methanone; anticarcinogenic, antiproliferative and antimetastasis agent; inhibitors of c-Met protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 — — US disclosed
EP-1660487-A1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET Vertex Pharmaceuticals Incorporated (US) 2006-05-31 — — EP disclosed
US-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met VERTEX PHARMACEUTICALS INCORPORATED 2005-05-12 — — US disclosed
WO-2005016920-A1 PYRROLE COMPOSITIONS USEFUL AS INHIBITORS OF C-MET VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-24 — — 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 (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-20050101650-A1 Pyrrole compositions useful as inhibitors of c-Met MET, PRKCH, DMPK BCAT1 423/4885NOTUM 1441/4885MAOA 3894/4885
US-20060173055-A1 (4-(4-(2,3-difluorophenyl)-4H-1,2,4-triazol-3-yl)-1H-pyrrol-2-yl)(2H-pyrrol-1(5H)-yl)methanone; anticarcinogenic, antiproliferative and antimetastasis agent; inhibitors of c-Met protein kinase MET, DMPK, CDK4 BCAT1 1485/4885NOTUM 1881/4885MAOA 4450/4885

“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.