SCHEMBL21282958

SCHEMBL21282958

Cc1cncc(C[C@H](C)c2cccs2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 10/20 0.38
▸ CYP11B2 P19099 10/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ CTSB P07858 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ TKT P29401 1/20 0.34
▸ CACNA2D1 P54289 2/20 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
SCHEMBL22600284 0.84 TSHR (0.39) CYP3A4TSHRCACNA2D1
SCHEMBL14983862 0.71 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4CTSBTKT
SCHEMBL23661902 0.71 CYP11B1 (0.44) CYP11B1CYP11B2CYP3A4CTSBTSHR
SCHEMBL24261178 0.69 CYP11B1 (0.38) CYP11B1CYP11B2CYP3A4CTSBTKT
SCHEMBL17480203 0.68 PRMT6 (0.42) CYP3A4TSHR
SCHEMBL17480206 0.68 SMN1; SMN2 (0.37) CYP3A4
SCHEMBL20206079 0.68 CTSB (0.34) CYP11B1CYP11B2CYP3A4CTSBTKT
SCHEMBL22915466 0.68 LMNA (0.34) TSHR
SCHEMBL23990848 0.67 CYP11B1 (0.38) CYP11B1CYP11B2CYP3A4CTSBTKT
SCHEMBL94688 0.66 — —

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-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 — — 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 (2 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-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 CYP11B1 798/4885CYP11B2 898/4885CYP3A4 558/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV CYP11B1 986/4885CYP11B2 989/4885CYP3A4 680/4885

“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.

Send feedback