SCHEMBL21786652

SCHEMBL21786652

CC1(C)OB(c2ccnn2Cc2ccc(C#N)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.47
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
UCHL1 P09936 1/20 0.39
ESR2 Q92731 1/20 0.36
CYP2A6 P11509 1/20 0.36
KMT2A Q03164 1/20 0.34
HTR2C P28335 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
USP2 O75604 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 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
SCHEMBL19260099 0.82 P2RX7 (0.41) CYP19A1UCHL1LPLLIPG
SCHEMBL17501098 0.80 UCHL1 (0.58) UCHL1KMT2A
SCHEMBL1604187 0.77 POLB (0.36) CYP19A1CYP11B2ESR2
SCHEMBL1530333 0.77 LPL (0.39) UCHL1KMT2ALPLLIPG
SCHEMBL3261102 0.75 FFAR1 (0.50) CYP19A1CYP11B1CYP11B2ESR2LPL
SCHEMBL1529947 0.71 LPL (0.40) UCHL1LPLLIPG
SCHEMBL11651398 0.71 KDM4E (0.62) CYP19A1CYP11B1CYP11B2CYP2A6HTR2C
SCHEMBL15375984 0.70 FFAR1 (0.33) UCHL1ESR2LPLLIPG
SCHEMBL23423392 0.69 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2HTR2CCA12
SCHEMBL18113942 0.69 GRM2 (0.34) KMT2ALPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210346353-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. 2021-11-11 US disclosed
WO-2020046813-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. (US) 2020-03-05 WO 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-20210346353-A1 CD73 INHIBITORS ENTPD5, ENTPD1, NT5E CYP19A1 2835/4885CYP11B1 3107/4885CYP11B2 3318/4885

“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.