SCHEMBL6848340

SCHEMBL6848340

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(CSc2ncnc3[nH]ncc23)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.51
FLT3 P36888 3/20 0.51
ALDH1A1 P00352 2/20 0.50
KCNH2 Q12809 1/20 0.48
BCR P11274 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KDR P35968 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL6841325 0.85 FLT3 (0.50) FLT3ALDH1A1MAPTMAPK1KDR
SCHEMBL7592061 0.84 ALDH1A1 (0.48) FLT3ALDH1A1MAPTMAPK1RPS6KB1
SCHEMBL6846677 0.83 ALDH1A1 (0.48) FLT3ALDH1A1MAPTMAPK1KDR
SCHEMBL6846651 0.83 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL6846551 0.83 PARP1 (0.52) FLT3ALDH1A1MAPTMAPK1KDR
SCHEMBL6846844 0.82 MAPT (0.47) FLT3ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL6846631 0.82 ALDH1A1 (0.46) FLT3ALDH1A1MAPTMAPK1AURKA
SCHEMBL6841318 0.81 FLT3 (0.43) ABL1FLT3ALDH1A1MAPTMAPK1
SCHEMBL6848432 0.81 ALDH1A1 (0.48) FLT3ALDH1A1MAPTMAPK1KDR
SCHEMBL6845380 0.81 ALDH1A1 (0.49) FLT3ALDH1A1MAPTMAPK1AURKA

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 9 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 claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
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 ABL1 555/4885FLT3 328/4885ALDH1A1 3632/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ABL1 555/4885FLT3 328/4885ALDH1A1 3632/4885

“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.