SCHEMBL21557582

SCHEMBL21557582

COC(=O)C1=Cc2cc(-c3ccccn3)ccc2CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.46
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
CCR5 P51681 5/20 0.41
GRM5 P41594 2/20 0.40
ABL1 P00519 2/20 0.39
SQOR Q9Y6N5 1/20 0.39
BCR P11274 1/20 0.39
CREBBP Q92793 1/20 0.39
TGFBR1 P36897 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL21557580 0.85 DHODH (0.43) CCR5ABL1BCRCREBBP
SCHEMBL31090834 0.74 CA12 (0.50)
SCHEMBL7911204 0.74 CA12 (0.50)
SCHEMBL25554151 0.74 CA12 (0.53) CCR5
SCHEMBL30930601 0.72 AXL (0.61) AXLGABRG2GABRB3GABRA3GRM5
SCHEMBL27284650 0.72 AXL (0.61) AXLGABRG2GABRB3GABRA3GRM5
SCHEMBL10529566 0.72 HSD17B3 (0.38)
SCHEMBL5562975 0.72 GRM5 (0.64) AXLGABRG2GABRB3GABRA3GRM5
SCHEMBL475480 0.72 AXL (0.56) AXLGABRG2GABRB3GABRA3GRM5
SCHEMBL989567 0.72 AXL (0.56) AXLGABRG2GABRB3GABRA3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647710-B2 Thiazole derivative and applications thereof MEDSHINE DISCOVERY INC. (CN) 2020-05-12 US disclosed
EP-3566749-A1 THIAZOLE DERIVATIVE AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2019-11-13 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 (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-10647710-B2 Thiazole derivative and applications thereof TSLP, TK2, TK1 AXL 893/4885GABRG2 3558/4885GABRB3 2903/4885

“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.