SCHEMBL13619742

SCHEMBL13619742

CCNC(=O)CC(=O)N(C)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 1/20 0.36
RIPK1 Q13546 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL14873196 0.84 TP53 (0.44) ALDH1A1TSHRTP53NPSR1POLB
SCHEMBL10224328 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTP53NPSR1POLB
SCHEMBL307587 0.81 ALDH1A1 (0.43) ALDH1A1TSHRTP53NPSR1POLB
SCHEMBL10172492 0.81 LMNA (0.46) ALDH1A1TSHRTP53NPSR1POLB
SCHEMBL13684202 0.80 ALDH1A1 (0.47) ALDH1A1TSHRTP53NPSR1POLB
SCHEMBL10289214 0.80 KDM4E (0.46) ALDH1A1TSHRTP53POLBRIPK1
SCHEMBL14839607 0.80 ALDH1A1 (0.42) ALDH1A1TSHRTP53NPSR1POLB
SCHEMBL308491 0.78 TP53 (0.46) ALDH1A1TSHRTP53NPSR1POLB
SCHEMBL2605743 0.78 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1NPC1RAB9A
SCHEMBL10272367 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTP53NPSR1POLB

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
EP-2183254-B1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2017-06-21 EP disclosed
EP-2426108-B1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC (CA) 2016-08-10 EP disclosed
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC (CA) 2014-10-23 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 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 (3 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-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 ALDH1A1 3152/4885TSHR 1749/4885TP53 950/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 ALDH1A1 3553/4885TSHR 3891/4885TP53 480/4885
US-20140315801-A1 METHODS OF TREATMENT OF CELL PROLIFERATIVE AND/OR OPHTHALMIC DISEASES, DISORDERS AND CONDITIONS USING INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY FLT1, KDR, FLT4 ALDH1A1 2750/4885TSHR 821/4885TP53 583/4885

“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.