SCHEMBL20218052

SCHEMBL20218052

Cc1c(-c2ccc(C(=O)OC(C)(C)C)cc2)nn(-c2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SRC P12931 2/20 0.44
BRAF P15056 2/20 0.44
KDR P35968 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
GRM6 O15303 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 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
SCHEMBL20388086 0.79 NTRK1 (0.40) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13698632 0.78 RAB9A (0.60) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL20218054 0.77 MAPT (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4179630 0.74 HPGD (0.54) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21622352 0.72 ALOX5AP (0.38) HPGDTP53MAPTLMNAPOLB
SCHEMBL6355405 0.72 CA12 (0.63) SMN1; SMN2MAPTGRM6ALDH1A1KDM4E
SCHEMBL20217955 0.71 GRM1 (0.56)
SCHEMBL15715950 0.70 RAB9A (0.47) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13860486 0.69 NTRK1 (0.44) HPGDMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL15715960 0.69 RAB9A (0.49) HPGDMEN1KMT2ASMN1; SMN2NPC1

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-3330256-B1 HETEROCYCLIC DERIVATIVE HAVING TrkA-INHIBITING ACTIVITY SHIONOGI & CO (JP) 2021-06-16 EP disclosed
US-10640495-B2 Heterocycle derivatives having TrkA inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-05-05 US disclosed
US-20180201607-A1 HETEROCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-07-19 US disclosed
US-20180201607-A1 HETEROCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2018-07-19 US disclosed
EP-3330256-A1 HETEROCYCLIC DERIVATIVE HAVING TrkA-INHIBITING ACTIVITY Shionogi & Co., Ltd. (JP) 2018-06-06 EP 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-10640495-B2 Heterocycle derivatives having TrkA inhibitory activity NTRK2, NR5A2, NTRK1 HPGD 4282/4885MEN1 3241/4885KMT2A 1804/4885
US-20180201607-A1 HETEROCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY NTRK2, NR5A2, NTRK1 HPGD 4282/4885MEN1 3241/4885KMT2A 1804/4885

“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.