SCHEMBL21709936

SCHEMBL21709936

Nc1nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 1/20 0.67
LCK P06239 12/20 0.67
TP53 P04637 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP2D6 P10635 2/20 0.57
FYN P06241 1/20 0.56
SRC P12931 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL6058064 0.92 LCK (0.71) ALDH1A1LCKTP53HPGDHSD17B10
SCHEMBL6058160 0.85 LCK (0.82) NPC1RAB9AALDH1A1LMNALCK
SCHEMBL21772286 0.80 LCK (0.64) LCKHSD17B10FYNSRC
SCHEMBL6057883 0.80 LCK (1.00) NPC1RAB9AALDH1A1LMNALCK
Dimethylamine SCHEMBL6058137 0.78 LCK (0.74) NPC1RAB9AALDH1A1LMNALCK
SCHEMBL6058264 0.78 LCK (0.89) LCKFYNSRC
SCHEMBL21681983 0.78 LCK (0.62) LCKFYNSRC
SCHEMBL11592582 0.77 LMNA (0.56) NPC1RAB9AALDH1A1LMNALCK
SCHEMBL6058279 0.77 LCK (0.81) LCKFYNSRC
SCHEMBL21709937 0.77 NPC1 (0.70) NPC1RAB9AALDH1A1LMNALCK

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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 US disclosed
US-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-03-05 US disclosed
WO-2020033782-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-1\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-13 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-20200071316-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA NPC1 3269/4885RAB9A 1570/4885ALDH1A1 72/4885

“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.