SCHEMBL20150097

SCHEMBL20150097

COc1c(-c2cocn2)cccc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.36
IMPDH2 P12268 4/20 0.35
IMPDH1 P20839 1/20 0.34
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
F2RL1 P55085 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 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
SCHEMBL27172748 0.79 IMPDH2 (0.39) SCN9AIMPDH2IMPDH1TP53LTB4R
SCHEMBL20155669 0.77 IMPDH2 (0.37) SCN9AIMPDH2IMPDH1LTB4RLTB4R2
SCHEMBL20150104 0.76 SMN1; SMN2 (0.45) TSHRALOX15TP53POLBKDM4E
SCHEMBL20150114 0.75 NPC1 (0.40) TSHRALOX15TP53POLBNPC1
SCHEMBL24497525 0.73 ALOX5AP (0.40) CYP3A4
SCHEMBL18415077 0.73 SCN9A (0.36) SCN9ATSHRALOX15POLBLTB4R
SCHEMBL20150103 0.73 CCNT1 (0.40) TSHRALOX15CYP3A4CYP2C9
SCHEMBL20150101 0.73 TP53 (0.39) TSHRALOX15TP53POLBKDM4E
SCHEMBL20150112 0.73 TYK2 (0.39) TSHRALOX15POLBHPGDCYP2C9
SCHEMBL20150110 0.73 ALOX5AP (0.34) TSHRALOX15CYP1A2CYP3A4FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 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 (5 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 SCN9A 4235/4885IMPDH2 4304/4885IMPDH1 4433/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SCN9A 4235/4885IMPDH2 4304/4885IMPDH1 4433/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SCN9A 4235/4885IMPDH2 4304/4885IMPDH1 4433/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SCN9A 4235/4885IMPDH2 4304/4885IMPDH1 4433/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SCN9A 4235/4885IMPDH2 4304/4885IMPDH1 4433/4885

“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.