SCHEMBL6848447

SCHEMBL6848447

O=C(Nc1ccc(N2CCNCC2)c(C(F)(F)F)c1)c1ccc(F)c(OCc2cncc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 7/20 0.49
KDR P35968 6/20 0.49
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CSF1R P07333 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
MTOR P42345 6/20 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
SCHEMBL6848240 0.91 TP53 (0.57) FGFR1KDRTP53MAPTTHRB
SCHEMBL6846756 0.85 MTOR (0.48) TP53MAPTTHRBSMN1; SMN2CSF1R
SCHEMBL6841246 0.84 TP53 (0.47) TP53MAPTTHRBSMN1; SMN2CSF1R
SCHEMBL6846883 0.83 MAPT (0.47) TP53MAPTTHRBSMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL6846824 0.82 MAPT (0.46) TP53MAPTTHRBSMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL6844791 0.79 MAPT (0.44) TP53MAPTTHRBSMN1; SMN2CSF1R
SCHEMBL6848469 0.78 MAPT (0.43) FGFR1KDRTP53MAPTCSF1R
Trifluoroacetic Acid SCHEMBL6841401 0.76 FGFR1 (0.44) FGFR1KDRCSF1R
Hydrochloric Acid SCHEMBL6846646 0.76 PLAU (0.47) FGFR1KDRSMN1; SMN2CSF1R
SCHEMBL6841196 0.76 TP53 (0.57) KDRTP53MAPTTHRBSMN1; 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 7 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
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 FGFR1 147/4885KDR 50/4885TP53 397/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA FGFR1 147/4885KDR 50/4885TP53 397/4885

“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.