SCHEMBL20073696

SCHEMBL20073696

COc1cc(C2CCC2)ccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.44
PDE4B Q07343 10/20 0.43
PDE4A P27815 8/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
HTR2A P28223 1/20 0.43
HIF1A Q16665 1/20 0.41
NR3C1 P04150 1/20 0.40
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
VEGFA P15692 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL20073796 0.93 QDPR (0.46) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL14924094 0.84 QDPR (0.65) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL12074534 0.83 SLC6A2 (0.49) QDPRPDE4BHTR2A
SCHEMBL22313381 0.81 LMNA (0.40) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL9188312 0.80 NR3C1 (0.60) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL21940779 0.77 S1PR1 (0.41) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL21939667 0.77 S1PR1 (0.41) PDE4BPDE4APDE4CPDE4DHTR2A
SCHEMBL23288648 0.76 QDPR (0.46) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL20073494 0.76 ALDH1A1 (0.50) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL9325871 0.75 PDE4A (0.59) QDPRPDE4BPDE4APDE4CPDE4D

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 10 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-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 US disclosed
US-11174265-B2 2021-11-16 US disclosed
EP-3848370-A2 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2021-07-14 EP 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
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed
WO-2018071794-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-19 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 (6 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-11220508-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 QDPR 4362/4885PDE4B 4309/4885PDE4A 4423/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 QDPR 4362/4885PDE4B 4309/4885PDE4A 4423/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 QDPR 4362/4885PDE4B 4309/4885PDE4A 4423/4885
US-11174265-B2 TYK2, JAK2, JAK1 QDPR 4553/4885PDE4B 4362/4885PDE4A 4496/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 QDPR 4362/4885PDE4B 4309/4885PDE4A 4423/4885
US-20220073527-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 QDPR 4362/4885PDE4B 4309/4885PDE4A 4423/4885

“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.