SCHEMBL16907482

SCHEMBL16907482

CN1CCC(Nc2ccc(NC(=O)Oc3ccccc3)cc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
BRAF P15056 2/20 0.53
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
KDM4E B2RXH2 5/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
SSTR4 P31391 2/20 0.41
SSTR1 P30872 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.41
FLT3 P36888 1/20 0.41
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL16907576 0.86 ALDH1A1 (0.43) KDRBRAFALDH1A1MAPTKDM4E
SCHEMBL16907633 0.84 BRAF (0.54) KDRBRAFGAANPSR1ALDH1A1
SCHEMBL30813329 0.84 BRAF (0.54) KDRBRAFGAANPSR1ALDH1A1
SCHEMBL20040923 0.83 BRAF (0.54) KDRBRAFMAPTPOLBFLT3
SCHEMBL16895200 0.82 KDR (0.51) KDRBRAFGAANPSR1ALDH1A1
SCHEMBL25802158 0.79 GAA (0.63) KDRBRAFGAANPSR1ALDH1A1
SCHEMBL29998870 0.79 GAA (0.63) KDRBRAFGAANPSR1ALDH1A1
SCHEMBL21470953 0.78 MALT1 (0.46) KDRBRAFGAANPSR1ALDH1A1
SCHEMBL2435253 0.77 ABL1 (0.65) BRAFGAANPSR1ABL1
Hydrochloric Acid SCHEMBL2435251 0.76 ABL1 (0.64) BRAFGAANPSR1ABL1

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
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 EP disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 US disclosed
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS APOLLOMICS INC. 2015-07-16 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-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents BRAF, RAF1, ARAF KDR 645/4885BRAF 1/4885GAA 2301/4885
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS BRAF, ARAF, RAF1 KDR 319/4885BRAF 1/4885GAA 2142/4885

“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.