SCHEMBL21055451

SCHEMBL21055451

Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H](Oc3ccccn3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.51
NAAA Q02083 2/20 0.43
CYP1A2 P05177 1/20 0.40
AVPR1A P37288 8/20 0.40
AVPR2 P30518 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 2/20 0.38
PTGS2 P35354 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.37
KEAP1 Q14145 1/20 0.36

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
SCHEMBL21055449 1.00 CYP2D6 (0.51) CYP2D6NAAACYP1A2AVPR1AAVPR2
SCHEMBL718466 0.85 CYP2D6 (0.51) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL657896 0.80 CYP2D6 (0.67) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL10376015 0.80 CYP2D6 (0.67) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL21055558 0.80 CYP2D6 (0.53) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL21055560 0.80 CYP2D6 (0.53) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL719956 0.77 CYP2D6 (0.51) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL29605026 0.77 AVPR1A (0.49) NAAACYP1A2AVPR1AAVPR2HCRTR1
SCHEMBL20266971 0.77 AVPR1A (0.49) NAAACYP1A2AVPR1AAVPR2HCRTR1
SCHEMBL3100559 0.76 KEAP1 (0.51) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1

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-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases ARRAY BIOPHARMA INC (US) 2022-02-15 US disclosed
WO-2019113190-A1 BICYCLIC FUSED PYRIDINE COMPOUNDS AS INHIBITORS OF TAM KINASES ARRAY BIOPHARMA INC. (US) 2019-06-13 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-11247990-B1 Bicyclic fused pyridine compounds as inhibitors of TAM kinases MAP3K1, MAP3K3, MAP3K2 CYP2D6 3215/4885NAAA 3762/4885CYP1A2 2249/4885

“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.