SCHEMBL20697359

SCHEMBL20697359

CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3c[nH]c4c(C)cc(C)cc34)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 9/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ HPGD P15428 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ CASP1 P29466 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CASP7 P55210 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ GLA P06280 1/20 0.37
▸ GUCY1A1 Q02108 2/20 0.36
▸ GUCY1B1 Q02153 2/20 0.36
▸ TP53 P04637 2/20 0.34

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
SCHEMBL25069973 0.85 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19KDM4EHSD17B10
SCHEMBL20689532 0.83 KDM4E (0.41) KDM4EHSD17B10HPGDALDH1A1CASP1
SCHEMBL20697230 0.83 KDM4E (0.42) KDM4EHSD17B10HPGDALDH1A1CASP1
SCHEMBL20696817 0.83 KDM4E (0.43) KDM4EHSD17B10HPGDALDH1A1CASP1
SCHEMBL21285337 0.78 KDM4E (0.46) KDM4EHSD17B10HPGDALDH1A1CASP1
SCHEMBL20688924 0.77 KDM4E (0.44) KDM4EHSD17B10HPGDALDH1A1CASP1
SCHEMBL26256567 0.77 KDM4E (0.47) KDM4EHSD17B10HPGDALDH1A1CASP1
SCHEMBL20696812 0.75 KDM4E (0.43) KDM4EHSD17B10HPGDALDH1A1CASP1
SCHEMBL21238637 0.75 KDM4E (0.42) KDM4EHSD17B10HPGDALDH1A1CASP1
SCHEMBL20689050 0.75 TYK2 (0.47) KDM4EHSD17B10HPGDALDH1A1CASP1

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-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 — — US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 — — US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 — — 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-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 — — 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 (8 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 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP1A2 3935/4885CYP3A4 4404/4885CYP2C19 3767/4885

“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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