SCHEMBL21227386

SCHEMBL21227386

CC(C)Nc1cccn(-c2cnc(C(=O)N(C)C)cn2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 4/20 0.55
▸ CXCR2 P25025 1/20 0.39
▸ IRAK4 Q9NWZ3 10/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PABPC1 P11940 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ OGA O60502 1/20 0.33

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
SCHEMBL16812533 0.87 TYK2 (0.56) TYK2KMT2AKDM4EALDH1A1GAA
SCHEMBL18143589 0.86 TYK2 (0.55) TYK2KMT2AKDM4EALDH1A1GAA
SCHEMBL16812418 0.81 TYK2 (0.54) TYK2IRAK4KMT2AKDM4EALDH1A1
SCHEMBL20696763 0.80 TYK2 (0.41) TYK2IRAK4GPR6
SCHEMBL21238543 0.76 JAK1 (0.48) TYK2IRAK4JAK1
SCHEMBL20696919 0.74 TYK2 (0.47) TYK2IRAK4JAK1
SCHEMBL20687662 0.72 TYK2 (0.45) TYK2IRAK4KMT2AKDM4EALDH1A1
SCHEMBL20697240 0.72 TYK2 (0.49) TYK2GAA
SCHEMBL20696914 0.72 ALDH1A1 (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20697172 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 — — US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 — — US disclosed
WO-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 — — WO disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 — — US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 — — US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 — — US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885CXCR2 2272/4885IRAK4 30/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885CXCR2 2272/4885IRAK4 30/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885CXCR2 2272/4885IRAK4 30/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885CXCR2 2272/4885IRAK4 30/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885CXCR2 2272/4885IRAK4 30/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885CXCR2 2272/4885IRAK4 30/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885CXCR2 2272/4885IRAK4 30/4885

“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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