SCHEMBL6846832

SCHEMBL6846832

Cc1c(F)c(F)c(F)c(NC(=O)c2cccc(C#Cc3cnc4[nH]cnc4c3)c2)c1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.38
TEK Q02763 3/20 0.36
LCK P06239 2/20 0.36
PTPN11 Q06124 1/20 0.36
ABL1 P00519 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
KIT P10721 4/20 0.35
MAPK8 P45983 1/20 0.35
FLT3 P36888 1/20 0.34
NAMPT P43490 1/20 0.34
CRBN Q96SW2 1/20 0.33
ADK P55263 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
SCHEMBL6846831 0.94 KDR (0.38) KDRTEKLCKPTPN11ABL1
SCHEMBL6846825 0.85 ABL1 (0.42) KDRTEKLCKPTPN11ABL1
SCHEMBL6846828 0.82 LCK (0.44) KDRTEKLCKABL1TSHR
SCHEMBL6846781 0.78 KDR (0.39) KDRTEKLCKABL1MAPT
SCHEMBL6846784 0.75 TEK (0.39) KDRTEKLCKABL1MAPT
SCHEMBL7228824 0.73 WNT3A (0.42) PTPN11MEN1MAPTTSHRKMT2A
SCHEMBL6844794 0.71 MAP3K20 (0.39) MEN1KMT2AATMKITFLT3
SCHEMBL6846894 0.69 ABL1 (0.43) KDRTEKLCKABL1ADK
SCHEMBL18163278 0.69 MAPT (0.47) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL6846837 0.69 MAP3K20 (0.36) KDRMEN1MAPTKMT2ASMN1; SMN2

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 3 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
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

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 KDR 50/4885TEK 387/4885LCK 90/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA KDR 50/4885TEK 387/4885LCK 90/4885

“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.