SCHEMBL6841242

SCHEMBL6841242

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3ccc(F)c(OCc4cccnc4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
REV1 Q9UBZ9 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
CCNA1 P78396 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPK14 Q16539 1/20 0.42
NPY2R P49146 1/20 0.41
HCK P08631 1/20 0.41
NR2C2 P49116 1/20 0.41
BTK Q06187 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6841246 0.88 TP53 (0.47) MAPTTP53THRBSMN1; SMN2TAAR1
SCHEMBL6846847 0.88 MAPT (0.60) MAPTTP53THRBSMN1; SMN2MAPK14
SCHEMBL7240098 0.83 CYP11B1 (0.40) MAPTTP53THRBSMN1; SMN2REV1
SCHEMBL6841342 0.82 BLM (0.46) MAPTTP53SMN1; SMN2CYP11B1CYP11B2
SCHEMBL6844575 0.82 CYP11B1 (0.47) CYP11B1CYP11B2HIF1AEPAS1
SCHEMBL6846753 0.81 CYP11B1 (0.48) MAPTTP53CYP11B1CYP11B2HIF1A
SCHEMBL6844702 0.79 GPR119 (0.39) MAPTSMN1; SMN2TAAR1CCNT1CCNA2
SCHEMBL6846883 0.77 MAPT (0.47) MAPTTP53THRBSMN1; SMN2TAAR1
SCHEMBL6844706 0.76 BACE1 (0.40) CCNT1CCNA2CDK2CDK9CCNA1
Hydrochloric Acid SCHEMBL6846824 0.76 MAPT (0.46) MAPTTP53THRBSMN1; SMN2TAAR1

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 MAPT 899/4885TP53 397/4885THRB 2328/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885TP53 397/4885THRB 2328/4885

“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.