SCHEMBL13178692

SCHEMBL13178692

CCC(CC)c1ncc(C)s1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.41
FDPS P14324 1/20 0.37
CTSA P10619 15/20 0.37
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL19003691 0.83 NOS1 (0.39) NOS1CTSASLC6A3
SCHEMBL10192234 0.81 NOS1 (0.40) NOS1FDPSCTSASLC6A3
SCHEMBL2629267 0.81 NOS1 (0.40) NOS1FDPSCTSASLC6A3
SCHEMBL18948473 0.77 NOS1 (0.34) NOS1CTSASLC6A3
SCHEMBL20182574 0.77 TRPM5 (0.36)
SCHEMBL20756396 0.76 NOS1 (0.33) NOS1CTSASLC6A3
SCHEMBL765512 0.75
SCHEMBL19504364 0.73
SCHEMBL24963250 0.71
SCHEMBL19286511 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2023-02-02 US disclosed
EP-4059932-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2022-09-21 EP disclosed
US-10961232-B2 Substituted pyrazines as ATR kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-03-30 US disclosed
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-11-19 US disclosed
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2019-02-14 US disclosed
EP-3354650-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2018-08-01 EP disclosed
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2018-06-21 US disclosed
US-8822109-B2 Colored curable composition, color filter, and solid image pickup element FUJIFILM CORPORATION (JP) 2014-09-02 US disclosed
US-8822109-B2 Colored curable composition, color filter, and solid image pickup element FUJIFILM CORPORATION (JP) 2014-09-02 US disclosed
US-20090085018-A1 COLORED CURABLE COMPOSITION, COLOR FILTER, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090085018-A1 COLORED CURABLE COMPOSITION, COLOR FILTER, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORPORATION (JP) 2009-04-02 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 (5 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-10961232-B2 Substituted pyrazines as ATR kinase inhibitors ATR, MAP3K5, CHEK1 NOS1 3094/4885FDPS 2216/4885CTSA 3294/4885
US-20190047995-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 NOS1 3172/4885FDPS 1730/4885CTSA 2953/4885
US-20230030414-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 NOS1 3172/4885FDPS 1730/4885CTSA 2953/4885
US-10479784-B2 Substituted pyrazin-2-amines as inhibitors of ATR kinase ATR, CHEK2, CHEK1 NOS1 2869/4885FDPS 3051/4885CTSA 3275/4885
US-20180170922-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 NOS1 3172/4885FDPS 1730/4885CTSA 2953/4885

“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.