SCHEMBL6743945

SCHEMBL6743945

[c]1ncccc1Nc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
PLA2G7 Q13093 1/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 4/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 2/20 0.37
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AURKA O14965 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL8582933 0.77
SCHEMBL14800640 0.76 ALDH1A1 (0.46) GRM4ALDH1A1TDP1PLA2G7NPC1
SCHEMBL1369210 0.72 ALDH1A1 (0.50) GRM4ALDH1A1TDP1PLA2G7NPC1
SCHEMBL7254231 0.71 ALDH1A1 (0.47) GRM4ALDH1A1TDP1PLA2G7NPC1
SCHEMBL10749872 0.70 SMN1; SMN2 (0.37) NPC1RAB9AGAAHPGDSMN1; SMN2
SCHEMBL70760 0.68 HSD17B10 (0.44) GRM4ALDH1A1TDP1NPC1RAB9A
SCHEMBL722560 0.68 RAB9A (0.59) ALDH1A1TDP1PLA2G7NPC1RAB9A
SCHEMBL2546678 0.67 GRM4 (0.47) GRM4ALDH1A1TDP1PLA2G7NPC1
Hydrochloric Acid SCHEMBL6833454 0.67 RAB9A (0.57) ALDH1A1TDP1PLA2G7NPC1RAB9A
Bromide SCHEMBL7502411 0.67 RAB9A (0.57) ALDH1A1TDP1PLA2G7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023979-A1 Process for making substituted thiazolyl-amino pyridines ZHAO MATTHEW M (US) 2004-02-05 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 (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-20040023979-A1 Process for making substituted thiazolyl-amino pyridines ERBB2, ERBB4, TYRO3 GRM4 753/4885ALDH1A1 3570/4885TDP1 3200/4885

“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.