SCHEMBL25823227

SCHEMBL25823227

Cc1nn(-c2cncc(F)c2)c(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.43
CYP11B1 P15538 8/20 0.37
CYP19A1 P11511 3/20 0.37
CYP2C9 P11712 3/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
P2RX7 Q99572 2/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL13600075 0.76 CA12 (0.41) CYP11B2CYP11B1CA12CA1CA2
SCHEMBL25823035 0.74 CYP11B2 (0.35) CYP11B2CYP11B1CYP19A1CYP2C9P2RX7
SCHEMBL25823094 0.72 CYP11B2 (0.39) CYP11B2CYP11B1CYP19A1CYP2C9P2RX7
SCHEMBL19120677 0.71 AR (0.44)
SCHEMBL18949738 0.70 TSHR (0.49) CYP11B2CA12CA1CA2CA9
SCHEMBL1016366 0.70 CYP11B2 (0.41) CYP11B2CYP11B1CYP2C9CYP1A2
SCHEMBL26847571 0.69 ELOVL1 (0.38) CYP11B2
SCHEMBL18949731 0.68 CA12 (0.47) CA12CA1CA2CA9P2RX7
SCHEMBL1014042 0.68 CYP11B2 (0.39) CYP11B2CYP11B1CYP19A1CYP2C9CYP1A2
SCHEMBL1010921 0.67 CYP11B2 (0.38) CYP11B2CYP11B1CYP19A1CYP2C9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 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-20230212160-A1 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 CYP11B2 2148/4885CYP11B1 1972/4885CYP19A1 1555/4885

“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.