SCHEMBL6841287

SCHEMBL6841287

CCOC(=O)c1cccc(C#Cc2cncc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.47
KDR P35968 2/20 0.47
ACACB O00763 1/20 0.47
FGFR1 P11362 1/20 0.47
CSF1R P07333 1/20 0.46
ALOX15 P16050 1/20 0.43
BRAF P15056 1/20 0.43
GRM5 P41594 4/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
CDC25A P30304 1/20 0.43
CDC25C P30307 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4319225 0.79 ACACB (0.62) ACACBGRM5MAPTSMN1; SMN2NPC1
SCHEMBL10411917 0.75 ACACB (0.57) ACACBMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL834845 0.74 CYP2C9 (0.60) ACACBGRM5MAPTSMN1; SMN2NPC1
SCHEMBL6841219 0.74 CYP4F2 (0.54) CDC25BKDRALOX15TP53MAPT
SCHEMBL4710798 0.74 GRM5 (0.54) ACACBALOX15GRM5TP53SMN1; SMN2
SCHEMBL6846571 0.73 CDC25B (0.47) CDC25BKDRALOX15TP53MAPT
SCHEMBL936599 0.73 ACACB (0.53) ACACBTP53MAPTSMN1; SMN2NPC1
SCHEMBL30687798 0.73 CYP2C9 (0.51) KDRACACBGRM5MAPTSMN1; SMN2
SCHEMBL26680544 0.73 CYP2C9 (0.51) KDRACACBGRM5MAPTSMN1; SMN2
SCHEMBL1505304 0.72 NPC1 (0.53) ACACBMAPTSMN1; SMN2NPC1KDM4E

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CDC25B 187/4885KDR 50/4885ACACB 446/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA CDC25B 187/4885KDR 50/4885ACACB 446/4885

“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.