SCHEMBL13323032

SCHEMBL13323032

O=C(Nc1cnccc1N1CCOCC1)c1csc(-n2ncc3ccccc32)n1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 12/20 0.81
▸ CYP1A2 P05177 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ PIM1 P11309 4/20 0.50
▸ PIM3 Q86V86 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GSK3A P49840 1/20 0.50
▸ PIM2 Q9P1W9 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL16519545 0.91 CHEK1 (0.84) CHEK1PIM1PIM3GSK3APIM2
SCHEMBL13323030 0.91 CHEK1 (0.80) CHEK1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL13155036 0.90 CHEK1 (1.00) CHEK1MAPK1
SCHEMBL13156772 0.88 CHEK1 (0.79) CHEK1PIM1PIM3PIM2
SCHEMBL13156767 0.83 CHEK1 (0.71) CHEK1PIM1PIM3PIM2
SCHEMBL16519598 0.83 CHEK1 (0.71) CHEK1PIM1PIM3PIM2
SCHEMBL13156769 0.83 CHEK1 (0.71) CHEK1PIM1PIM3PIM2
SCHEMBL13323035 0.83 CHEK1 (0.70) CHEK1CYP1A2POLBCYP3A4CYP2C9
SCHEMBL16519597 0.82 CHEK1 (0.82) CHEK1PIM1PIM3MAPTTSHR
SCHEMBL13323043 0.81 CHEK1 (0.57) CHEK1CYP1A2POLBCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 — — US 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
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 CHEK1 395/4885CYP1A2 2340/4885POLB 2101/4885

“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.

Send feedback