SCHEMBL20689061

SCHEMBL20689061

CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(-c3ccn(-c4ccccc4)n3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ HSD17B10 Q99714 7/20 0.49
▸ HPGD P15428 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TYK2 P29597 1/20 0.48
▸ CASP1 P29466 3/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL21258581 0.91 TYK2 (0.52) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL20689065 0.91 TYK2 (0.53) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL20689058 0.88 TYK2 (0.62) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL20696957 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL25069986 0.85 SMN1; SMN2 (0.42) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL21285337 0.80 KDM4E (0.46) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL20688924 0.78 KDM4E (0.44) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL26256567 0.78 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL25069959 0.76 TYK2 (0.40) ALDH1A1HPGDSMN1; SMN2TYK2MAPT
SCHEMBL25069960 0.75 TYK2 (0.47) ALDH1A1KDM4EHSD17B10HPGDTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190241576-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
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 — — 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 (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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885HSD17B10 2692/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885HSD17B10 2692/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885HSD17B10 2692/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885HSD17B10 2692/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 ALDH1A1 4827/4885KDM4E 391/4885HSD17B10 2692/4885

“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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