SCHEMBL13633309

SCHEMBL13633309

OCc1ccc(N=C=S)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.68
MIF P14174 3/20 0.50
HSD17B10 Q99714 1/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
LTA4H P09960 1/20 0.39
CHRM1 P11229 1/20 0.38
TRPA1 O75762 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
RAD1 O60671 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
VHL P40337 1/20 0.34

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
SCHEMBL9547715 0.81 P2RY6 (1.00) P2RY6MIFHSD17B10CA1CA2
SCHEMBL1853024 0.81 P2RY6 (1.00) P2RY6MIFHSD17B10CA1CA2
SCHEMBL1193625 0.81 P2RY6 (0.74) P2RY6MIFHSD17B10CA1CA2
SCHEMBL9547731 0.81 P2RY6 (0.74) P2RY6MIFHSD17B10CA1CA2
Bitoscanate SCHEMBL157128 0.80 MIF (0.72) P2RY6MIFHSD17B10CA1CA2
SCHEMBL2721025 0.77 CYP3A4 (0.68) P2RY6NOS3NOS1CA1CA2
SCHEMBL7203092 0.77 P2RY6 (0.68) P2RY6MIFHSD17B10CA1CA2
SCHEMBL11754558 0.77 P2RY6 (0.68) P2RY6MIFHSD17B10CA1CA2
SCHEMBL349302 0.77 P2RY6 (0.68) P2RY6MIFHSD17B10CA1CA2
SCHEMBL16192966 0.77 P2RY6 (0.68) P2RY6MIFHSD17B10NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4023293-A1 2-AMINOQUINAZOLINONE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2022-07-06 EP disclosed
CN-114650986-A 2-aminoquinazolinone derivatives 住友制药株式会社 2022-06-21 CN disclosed
US-11352366-B2 2-aminoquinazolinone derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
US-11352366-B2 2-aminoquinazolinone derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
US-20220143020-A1 2-AMINOQUINAZOLINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 US disclosed
US-20220143020-A1 2-AMINOQUINAZOLINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 US disclosed
US-20210380598-A1 2-AMINOQUINAZOLINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-12-09 US disclosed
US-20210380598-A1 2-AMINOQUINAZOLINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-12-09 US disclosed
WO-2021039968-A1 2-AMINOQUINAZOLINONE DERIVATIVE 大日本住友製薬株式会社 2021-03-04 WO disclosed
US-10029997-B2 Compositions and methods for treating cancers CEDARS-SINAI MEDICAL CENTER (US) 2018-07-24 US disclosed
US-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS CEDARS-SINAI MEDICAL CENTER (US) 2017-05-04 US disclosed
US-9586907-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-07 US disclosed
US-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-09-03 US disclosed
US-7396828-B2 PI-3 kinase inhibitor prodrugs SEMAFORE PHARMACEUTICALS, INC. (US) 2008-07-08 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 (6 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-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS GSK3B, HDAC1, HDAC3 P2RY6 4289/4885MIF 1484/4885HSD17B10 442/4885
US-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 P2RY6 3871/4885MIF 545/4885HSD17B10 3198/4885
US-10029997-B2 Compositions and methods for treating cancers HDAC3, HDAC1, GSK3B P2RY6 4370/4885MIF 1150/4885HSD17B10 513/4885
US-20220143020-A1 2-AMINOQUINAZOLINONE DERIVATIVE CNKSR1, HAX1, CRKL P2RY6 873/4885MIF 3712/4885HSD17B10 1933/4885
US-20210380598-A1 2-AMINOQUINAZOLINONE DERIVATIVE CNKSR1, HAX1, SLC26A3 P2RY6 936/4885MIF 3987/4885HSD17B10 1497/4885
US-11352366-B2 2-aminoquinazolinone derivative CNKSR1, HAX1, SLC26A3 P2RY6 936/4885MIF 3987/4885HSD17B10 1497/4885

“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.