SCHEMBL6844707

SCHEMBL6844707

COc1cc(/C=C/c2cc(CSc3cccc(C(=O)Nc4ccc5nc(C)ccc5c4)c3)[nH]n2)ccc1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
POLB P06746 2/20 0.41
KDR P35968 2/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
EGFR P00533 3/20 0.35
NQO2 P16083 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL6844710 1.00 RAB9A (0.41) RAB9ANPC1POLBKDRMAPT
SCHEMBL6846393 0.90 MMP9 (0.44) RAB9ANPC1POLBKDRMAPT
SCHEMBL6846397 0.90 MMP9 (0.44) RAB9ANPC1POLBKDRMAPT
SCHEMBL6841457 0.74 NPC1 (0.37) RAB9ANPC1POLBMAPTTP53
SCHEMBL6841459 0.74 NPC1 (0.37) RAB9ANPC1POLBMAPTTP53
SCHEMBL6846635 0.71 NPC1 (0.57) RAB9ANPC1POLBMAPTTP53
SCHEMBL6841215 0.70 PARP1 (0.42) RAB9ANPC1POLBABCG2NQO2
SCHEMBL6841216 0.70 PARP1 (0.42) RAB9ANPC1POLBABCG2NQO2
SCHEMBL6846660 0.66 NPC1 (0.56) RAB9ANPC1POLBMAPTTP53
Hydrochloric Acid SCHEMBL6846557 0.66 RAB9A (0.56) RAB9ANPC1POLBMAPTMEN1

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 RAB9A 1183/4885NPC1 4543/4885POLB 2588/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RAB9A 1183/4885NPC1 4543/4885POLB 2588/4885

“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.