SCHEMBL21709937

SCHEMBL21709937

Nc1nc2ccc(C(=O)Nc3ccccn3)cc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
ALDH1A1 P00352 3/20 0.70
LMNA P02545 2/20 0.70
TP53 P04637 1/20 0.67
HPGD P15428 1/20 0.67
HSD17B10 Q99714 1/20 0.67
LCK P06239 4/20 0.59
CYP2D6 P10635 2/20 0.59
CYP3A4 P08684 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 1/20 0.57
PIK3CD O00329 2/20 0.51
PI4KA P42356 2/20 0.51
PIK3CG P48736 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL21772261 0.81 LCK (0.61) NPC1RAB9AALDH1A1TP53HPGD
SCHEMBL21681990 0.78 LCK (0.62) NPC1RAB9AALDH1A1LCKSMN1; SMN2
SCHEMBL28126311 0.78 GFER (0.63) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL6058160 0.77 LCK (0.82) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL3093614 0.77 NPC1 (0.69) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL21709936 0.77 NPC1 (0.67) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL2946989 0.76 NPC1 (0.71) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL25303756 0.76 SYK (0.65) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL9722750 0.74 NPC1 (0.76) NPC1RAB9AALDH1A1LMNATP53
SCHEMBL3365984 0.74 RAB9A (0.83) NPC1RAB9ALMNATP53SMN1; SMN2

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.