SCHEMBL21948056

SCHEMBL21948056

CC(C)n1ccc2cc(Cl)nnc21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNB3 Q8WWL7 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30

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
SCHEMBL15618835 0.76 — —
SCHEMBL29563716 0.76 APP (0.35) —
SCHEMBL24334808 0.74 CCNA2 (0.31) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL19152607 0.74 CNR2 (0.39) CNR2CCNB2CDK1CCNB1CCNB3
SCHEMBL20722578 0.71 HTR2A (0.34) —
SCHEMBL19131839 0.70 CCNA2 (0.31) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL2226803 0.70 PIK3CB (0.38) CCNA2CDK2CCNA1
SCHEMBL16884035 0.68 CCR1 (0.42) CNR2
SCHEMBL15723723 0.68 CDK5 (0.37) CCNA2CDK2CCNA1CDK1CDK5
SCHEMBL22822820 0.67 CNR2 (0.37) CNR2

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — US disclosed
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — 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 (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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CCNA2 3267/4885CDK2 342/4885CCNA1 3968/4885

“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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