SCHEMBL6846652

SCHEMBL6846652

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2NC(=O)c2ccc(F)c(OCc3cncc(-c4ccco4)c3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
ADORA1 P30542 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
TBK1 Q9UHD2 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6846655 0.90 ADORA2A (0.38) ADORA2AABCB1ABCG2GPR119ADORA1
SCHEMBL6844702 0.88 GPR119 (0.39) GPR119TBK1CCNT1CCNA2CDK2
SCHEMBL6844735 0.78 RBP4 (0.43) MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL6844706 0.77 BACE1 (0.40) GPR119CCNT1CCNA2CDK2CDK9
SCHEMBL6846605 0.76 TTR (0.43) MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL6846596 0.76 MAPT (0.42) MAPTLMNA
SCHEMBL6841242 0.75 MAPT (0.46) GPR119CCNT1CCNA2CDK2CDK9
SCHEMBL6848352 0.73 ALDH1A1 (0.40) MAPTSMN1; SMN2LMNA
SCHEMBL6846837 0.71 MAP3K20 (0.36) GPR119MAPTSMN1; SMN2NPSR1LMNA
SCHEMBL6846439 0.71 BACE1 (0.43) CYP1A2CYP2D6MAPTCYP2C9TSHR

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 ADORA2A 2670/4885ABCB1 3902/4885ABCG2 2002/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ADORA2A 2670/4885ABCB1 3902/4885ABCG2 2002/4885

“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.