SCHEMBL20150115

SCHEMBL20150115

COc1c(-c2cncnc2)cccc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ERN1 O75460 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
BACE1 P56817 4/20 0.34
KCNH2 Q12809 1/20 0.34
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 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
SCHEMBL617346 0.80 PDE4B (0.43) TSHRFAAHCA1CA2LMNA
SCHEMBL20150111 0.79 TSHR (0.32) TSHRALOX15FAAHCA1CA2
SCHEMBL20150099 0.78 ROCK2 (0.44) TRPA1
SCHEMBL20150109 0.77 TSHR (0.38) EGFRKDRTSHRALOX15FAAH
SCHEMBL21784426 0.76 TTK (0.41) AAK1PDK2
SCHEMBL20150098 0.75 AAK1 (0.46) AAK1PDK2
SCHEMBL20150105 0.74 TP53 (0.39) TSHRALOX15FAAHCA1CA2
SCHEMBL5548772 0.74 GABRA1 (0.50) TSHRALOX15FAAHCA1CA2
SCHEMBL20150103 0.74 CCNT1 (0.40) EGFRKDRTSHRALOX15CYP3A4
SCHEMBL20150112 0.74 TYK2 (0.39) TSHRALOX15HPGDUSP1WDR48

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323036-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-06-18 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (3 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-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP11B1 3696/4885CYP11B2 3385/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP11B1 3696/4885CYP11B2 3385/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP11B1 3696/4885CYP11B2 3385/4885

“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.