SCHEMBL21285360

SCHEMBL21285360

CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C(C)C)c4ccccc34)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.47
▸ HPGD P15428 6/20 0.47
▸ HSD17B10 Q99714 6/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CASP1 P29466 3/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TYK2 P29597 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KLK7 P49862 1/20 0.40

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
SCHEMBL21285359 0.91 CA12 (0.46) KDM4EHPGDALDH1A1TSHRTYK2
SCHEMBL20696964 0.91 TYK2 (0.53) KDM4EHPGDHSD17B10ALDH1A1RAB9A
SCHEMBL21948052 0.88 TYK2 (0.47) KDM4EHPGDHSD17B10ALDH1A1RAB9A
SCHEMBL20689332 0.88 TYK2 (0.46) KDM4EHPGDHSD17B10ALDH1A1RAB9A
SCHEMBL20697307 0.88 TYK2 (0.48) KDM4EHPGDHSD17B10ALDH1A1RAB9A
SCHEMBL21948921 0.87 TYK2 (0.48) KDM4EHPGDHSD17B10ALDH1A1RAB9A
SCHEMBL21947290 0.83 KDM4E (0.48) KDM4EHPGDHSD17B10ALDH1A1RAB9A
SCHEMBL21258520 0.83 TYK2 (0.56) KDM4EALDH1A1TYK2
SCHEMBL21961725 0.82 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1RAB9A
SCHEMBL20689041 0.81 TYK2 (0.58) TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 — — 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 (1 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-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KDM4E 391/4885HPGD 4476/4885HSD17B10 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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