SCHEMBL14817543

SCHEMBL14817543

CNC(=O)C1(C(=O)Nc2ccccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 3/20 0.47
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 3/20 0.42

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
SCHEMBL30074437 0.92 RAB9A (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL307269 0.84 RAB9A (0.55) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL2605844 0.84 PDK1 (0.48) SMN1; SMN2RAB9ANPC1ALDH1A1PDK1
SCHEMBL13926362 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL10289222 0.84 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL17993534 0.83 RAB9A (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL2152649 0.83 RAB9A (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL30600361 0.83 RAB9A (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL16672174 0.81 MEN1 (0.48) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL15074666 0.79 L3MBTL1 (0.59) SMN1; SMN2ALDH1A1KMT2AKDM4ELMNA

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 10 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
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8906852-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US 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-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 US disclosed
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity METHYLGENE INC. (CA) 2013-04-18 US disclosed
US-8404846-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-26 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-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET SMN1; SMN2 4376/4885RAB9A 2424/4885NPC1 3563/4885
US-20130096088-A1 Inhibitors of Protein Tyrosine Kinase Activity KDR, FLT1, FLT4 SMN1; SMN2 2304/4885RAB9A 1427/4885NPC1 4547/4885
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 SMN1; SMN2 3561/4885RAB9A 1805/4885NPC1 3015/4885

“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.