SCHEMBL20150087

SCHEMBL20150087

COc1c(-c2nc[nH]n2)cccc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 3/20 0.33
ALOX15 P16050 2/20 0.33
BRD4 O60885 1/20 0.33
USP1 O94782 3/20 0.32
WDR48 Q8TAF3 3/20 0.32
CYP1A2 P05177 4/20 0.32
CYP3A4 P08684 4/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
BLM P54132 2/20 0.32
HIF1A Q16665 2/20 0.32
SLC6A2 P23975 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL21091038 0.87 TSHR (0.33) TP53TSHRALOX15USP1WDR48
SCHEMBL20150120 0.81 TSHR (0.39) TP53POLBTSHRALOX15CYP1A2
SCHEMBL17194909 0.81 BRD4 (0.36) POLBTSHRBRD4CYP1A2CYP3A4
SCHEMBL20150109 0.78 TSHR (0.38) TP53POLBTSHRALOX15USP1
SCHEMBL31473932 0.78 BRD4 (0.38) TP53POLBBRD4ADRA2AADRA2B
SCHEMBL20150083 0.78 KDM4E (0.54) TP53USP1WDR48MEN1KMT2A
SCHEMBL20150085 0.78 USP1 (0.33) TSHRUSP1WDR48CYP1A2CYP3A4
SCHEMBL18415084 0.77 BRD4 (0.43) TP53POLBBRD4USP1WDR48
SCHEMBL21784454 0.76 TYK2 (0.37) TSHRALOX15USP1WDR48CYP2C19
SCHEMBL20230880 0.76 BRD4 (0.33) BRD4HPGDGABRA1GABRB2KMT2A

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 TP53 2843/4885POLB 1657/4885TSHR 1652/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TP53 2843/4885POLB 1657/4885TSHR 1652/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TP53 2843/4885POLB 1657/4885TSHR 1652/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TP53 2843/4885POLB 1657/4885TSHR 1652/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TP53 2843/4885POLB 1657/4885TSHR 1652/4885

“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.