SCHEMBL20230871

SCHEMBL20230871

CC(C)c1cnc2cc(CC(C)c3ncc4ccccc4n3)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ITGB2 P05107 5/20 0.32
▸ ICAM1 P05362 5/20 0.32
▸ ITGAL P20701 5/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.31
▸ CYP1A2 P05177 2/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25118500 0.95 HTR2A (0.37) HTR2AHTR2CHTR2BACACBITGB2
SCHEMBL19954911 0.88 HTR2A (0.38) HTR2AHTR2CHTR2BPCSK9CYP1A2
SCHEMBL20156144 0.82 — —
SCHEMBL22825592 0.80 CYP1A2 (0.50) HTR2AHTR2CHTR2BPCSK9CYP1A2
SCHEMBL20155649 0.78 HTR2A (0.41) HTR2AHTR2CHTR2BAKT1CYP1A2
SCHEMBL21282994 0.77 CYP1A2 (0.37) HTR2AHTR2CHTR2BACACBITGB2
SCHEMBL25515309 0.77 ALOX5 (0.34) HTR2AHTR2CHTR2BCYP1A2LMNA
SCHEMBL20048906 0.73 CYP1A2 (0.39) KDM4ECYP1A2HRH4LMNAMAPT
SCHEMBL21450020 0.73 TRPM8 (0.32) KDM4EMAPT
SCHEMBL20098087 0.73 NPSR1 (0.32) HTR2AHTR2CHTR2BKDM4ELMNA

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-11220508-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-01-11 — — US disclosed
US-11174265-B2 — — 2021-11-16 — — US disclosed
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-07-29 — — US disclosed
US-10793574-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-10-06 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 HTR2A 3475/4885HTR2C 3262/4885HTR2B 3398/4885
US-10793574-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 HTR2A 3475/4885HTR2C 3262/4885HTR2B 3398/4885
US-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 HTR2A 3475/4885HTR2C 3262/4885HTR2B 3398/4885
US-20210230163-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HTR2A 3475/4885HTR2C 3262/4885HTR2B 3398/4885
US-20190284194-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HTR2A 3475/4885HTR2C 3262/4885HTR2B 3398/4885
US-11174265-B2 — TYK2, JAK2, JAK1 HTR2A 3149/4885HTR2C 2864/4885HTR2B 3455/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HTR2A 3475/4885HTR2C 3262/4885HTR2B 3398/4885

“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.

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