SCHEMBL6844735

SCHEMBL6844735

CC(=O)Oc1cc(C(=O)Nc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2C(F)(F)F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.43
TTR P02766 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
S1PR2 O95136 1/20 0.39
SOS1 Q07889 1/20 0.39
BACE1 P56817 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL6846605 0.88 TTR (0.43) RBP4TTRMAPTLMNAS1PR2
SCHEMBL6846596 0.88 MAPT (0.42) RBP4TTRMAPTLMNABACE1
SCHEMBL6844737 0.86 TOP1 (0.42) MAPTLMNAS1PR2BACE1TP53
SCHEMBL6846439 0.82 BACE1 (0.43) RBP4MAPTSOS1BACE1
SCHEMBL6844702 0.81 GPR119 (0.39) RBP4MAPTLMNABACE1SMN1; SMN2
SCHEMBL6846652 0.78 ADORA2A (0.39) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL6846512 0.75 PTPN11 (0.40) SOS1BACE1SMN1; SMN2HTTNPSR1
SCHEMBL6846781 0.75 KDR (0.39) MAPTLMNA
SCHEMBL6846837 0.75 MAP3K20 (0.36) MAPTLMNASMN1; SMN2HTTNPSR1
SCHEMBL6846600 0.74 MAPT (0.42) MAPTLMNABACE1TP53NPSR1

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 RBP4 1766/4885TTR 3487/4885MAPT 899/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA RBP4 1766/4885TTR 3487/4885MAPT 899/4885

“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.