SCHEMBL21246137

SCHEMBL21246137

CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 7/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ SYK P43405 1/20 0.37
▸ HPGD P15428 4/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CASP1 P29466 1/20 0.36

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
SCHEMBL21238770 0.86 KMT2A (0.35) ALDH1A1KMT2AMEN1NPSR1KDM4E
SCHEMBL20688924 0.82 KDM4E (0.44) POLBTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21227598 0.81 TYK2 (0.43) POLBTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL21285337 0.80 KDM4E (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL21227353 0.79 POLB (0.40) POLBALDH1A1KMT2ALMNAMEN1
SCHEMBL26256567 0.78 KDM4E (0.47) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL25069986 0.77 SMN1; SMN2 (0.42) POLBTP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL25069883 0.77 HTR3A (0.34) POLBALDH1A1KMT2ALMNAMEN1
SCHEMBL25069973 0.76 CYP1A2 (0.43) ALDH1A1SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL20697424 0.76 KMT2A (0.48) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1

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 2 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-20190241576-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 (2 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-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 POLB 1657/4885TP53 2843/4885ALDH1A1 4827/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 POLB 1657/4885TP53 2843/4885ALDH1A1 4827/4885

“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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