SCHEMBL13355261

SCHEMBL13355261

Cn1c(=O)n(C)c2c(F)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.42
BTK Q06187 1/20 0.42
KDM4E B2RXH2 4/20 0.40
HTT P42858 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 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
SCHEMBL13322662 0.80 SLC6A2 (0.51) ALDH1A1TSHRNPC1JAK2BTK
SCHEMBL16519582 0.78 ALKBH5 (0.50) ALDH1A1TSHRNPC1KDM4EHTT
SCHEMBL13354934 0.76 HTT (0.46) ALDH1A1KDM4EHTTHSD17B10LMNA
SCHEMBL31426234 0.76 PIK3CD (0.39) ALDH1A1KDM4EHTTHSD17B10PIK3CD
SCHEMBL31219203 0.76 ATAD2 (0.46) ALDH1A1KDM4EHTTHSD17B10PIK3CD
SCHEMBL31737407 0.74 NPEPPS (0.51) ALDH1A1TSHRNPC1HTTHSD17B10
SCHEMBL27428448 0.73 DAO (0.42) ALDH1A1TSHRKDM4EHTTHSD17B10
SCHEMBL13355126 0.73 CYP19A1 (0.50) ALDH1A1JAK2BTKKDM4EHTT
SCHEMBL29798837 0.73 CYP1A2 (0.55) ALDH1A1TSHRNPC1KDM4EHSD17B10
SCHEMBL474339 0.73 CYP1A2 (0.55) ALDH1A1TSHRNPC1KDM4EHSD17B10

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
EP-2078004-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-02-25 EP disclosed
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 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-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 ALDH1A1 3331/4885TSHR 3655/4885NPC1 2576/4885

“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.