SCHEMBL21227342

SCHEMBL21227342

CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(Nc3cc(C)cc(C)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ HPGD P15428 6/20 0.48
▸ HSD17B10 Q99714 6/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TYK2 P29597 2/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KDR P35968 1/20 0.41

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
SCHEMBL21227341 0.91 TYK2 (0.51) KDM4EHPGDHSD17B10ALDH1A1TYK2
SCHEMBL21227361 0.88 TYK2 (0.61) KDM4EHPGDALDH1A1TYK2MAPT
SCHEMBL20688889 0.82 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL21887375 0.81 KDM4E (0.42) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL21887777 0.81 MAPT (0.44) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20689050 0.80 TYK2 (0.47) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL21887781 0.80 NPSR1 (0.43) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL22092637 0.79 KDM4E (0.41) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL22343331 0.77 TYK2 (0.66) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL20696957 0.77 ALDH1A1 (0.52) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2

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-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 (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-20190241575-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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