SCHEMBL17110503

SCHEMBL17110503

CC(C)[Si](OCc1ncc([N+](=O)[O-])c(-c2ccccc2)n1)(C(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 12/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRA5 P31644 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
GSK3B P49841 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
MAPT P10636 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
SCHEMBL18779299 0.80 PIN1 (0.47) PIN1MEN1KMT2AGSK3BALDH1A1
SCHEMBL17110527 0.78 CKS1B (0.38) ALDH1A1CKS1BSKP1SKP2MAPT
SCHEMBL17110470 0.78 PIN1 (0.47) PIN1MEN1KMT2AGSK3BALDH1A1
SCHEMBL11903190 0.70 KMT2A (0.48) PIN1MEN1KMT2AGSK3BALDH1A1
SCHEMBL27538176 0.70 ADORA1 (0.50) PIN1MEN1KMT2AALDH1A1MAPT
SCHEMBL31434441 0.68 NPC1 (0.51) MEN1KMT2AALDH1A1TDP1MAPT
SCHEMBL1200414 0.66 MEN1 (0.41) MEN1KMT2AGABRA5MAPT
SCHEMBL6617821 0.64 ALDH1A1 (0.53) MEN1KMT2AALDH1A1TDP1
SCHEMBL1201342 0.64 ALDH1A1 (0.38) PIN1MEN1KMT2AALDH1A1TDP1
SCHEMBL14809766 0.63 PIN1 (0.54) PIN1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2017-04-27 US disclosed
EP-3122346-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF Merck Sharp & Dohme Corp. (US) 2017-02-01 EP disclosed
WO-2015148344-A2 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 WO disclosed
WO-2015143654-A1 TrkA KINASE INHIBITORS,COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2015-10-01 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 (1 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-20170114071-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NGF, NTRK1 PIN1 1271/4885MEN1 4696/4885KMT2A 3308/4885

“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.