SCHEMBL20150093

SCHEMBL20150093

COc1c(C(C)C)cccc1-n1cncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
IMPDH2 P12268 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35

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
SCHEMBL10044885 0.81 FAAH (0.43) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL20150084 0.78 NPC1 (0.44) ALOX15TSHRKMT2AALDH1A1HPGD
SCHEMBL20150082 0.75 TSHR (0.38) ALOX15TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL20150089 0.75 TSHR (0.38) ALOX15TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL13843682 0.75 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL20150094 0.75 ATP4A (0.34) ALOX15TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL20150092 0.73 ALOX15 (0.50) ALOX15TSHRCYP1A2CYP3A4CYP2C9
SCHEMBL20150107 0.73 NOTUM (0.47) ALOX15TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL2093233 0.71 KMT2A (0.49) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL5548772 0.71 GABRA1 (0.50) ALOX15TSHRCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-10 US disclosed
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-29 US disclosed
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-19 US disclosed
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
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 (9 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALOX15 3808/4885TSHR 1652/4885CYP1A2 3935/4885

“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.