SCHEMBL20575458

SCHEMBL20575458

Clc1cc(Nc2n[nH]c3ccccc23)ncn1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
FADS1 O60427 6/20 0.56
GRM4 Q14833 7/20 0.47
ADRA2A P08913 2/20 0.46
NPC1 O15118 1/20 0.41
AURKA O14965 1/20 0.41
IDO1 P14902 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
SCHEMBL12325176 0.75 TRPA1 (0.55) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL4783454 0.72 FADS1 (1.00) TRPA1FADS1GRM4
SCHEMBL802545 0.71 FADS1 (0.47) TRPA1FADS1GRM4ADRA2A
SCHEMBL18274872 0.71 TRPA1 (0.57) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL857502 0.71 NPC1 (0.63) NPC1
SCHEMBL29882003 0.71 TRPA1 (0.75) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL4741513 0.71 TRPA1 (0.75) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL802359 0.71 TRPA1 (0.49) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL802313 0.70 TRPA1 (0.48) TRPA1FADS1GRM4ADRA2AAURKA
SCHEMBL802317 0.70 FADS1 (0.48) TRPA1FADS1GRM4ADRA2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 US disclosed
US-10738033-B2 Trk inhibition NANTBIO, INC. (US) 2020-08-11 US disclosed
US-20180346451-A1 TRK INHIBITION NANTBIO, INC. 2018-12-06 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-20180346451-A1 TRK INHIBITION NGFR, NGF, NTRK1 TRPA1 584/4885FADS1 3271/4885GRM4 2515/4885
US-10738033-B2 Trk inhibition NGF, NGFR, NTRK2 TRPA1 473/4885FADS1 3471/4885GRM4 1986/4885

“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.