SCHEMBL21902013

SCHEMBL21902013

CC(C)(CS)c1cncc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.35
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL19558165 0.82 CYP19A1 (0.41) CYP19A1CHRNB2CHRNA4HCAR2CYP11B2
SCHEMBL19251107 0.79 CHRNB2 (0.35) CYP19A1CHRNB2CHRNA4HCAR2CYP11B2
SCHEMBL799552 0.77 CYP19A1 (0.41) CYP19A1CHRNB2CHRNA4HCAR2CYP11B2
SCHEMBL19251108 0.77 CNR2 (0.38) CYP19A1CHRNB2CHRNA4
SCHEMBL22752547 0.74 CNR2 (0.45)
SCHEMBL30581493 0.74 CYP11B2 (0.48) CYP19A1HCAR2CYP11B2CYP11B1
SCHEMBL16755475 0.74 CYP19A1 (0.38) CYP19A1CHRNB2CHRNA4HCAR2CYP11B2
SCHEMBL21133837 0.73 HDAC8 (0.34)
Hydrochloric Acid SCHEMBL27566786 0.71 CYP19A1 (0.42) CYP19A1HCAR2CYP11B2CYP11B1
SCHEMBL24608378 0.71 CYP2C9 (0.39) CYP19A1CHRNB2CHRNA4HCAR2CYP11B2

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-20200123165-A1 KINASE INHIBITORS INSILICO MEDICINE LTD. (CN) 2020-04-23 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-20200123165-A1 KINASE INHIBITORS DDR1, DDR2, DDRGK1 CYP19A1 2128/4885CHRNB2 1934/4885CHRNA4 1777/4885

“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.