SCHEMBL21960682

SCHEMBL21960682

CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 5/20 0.49
▸ CDK2 P24941 4/20 0.49
▸ ROCK2 O75116 4/20 0.49
▸ PRKACA P17612 4/20 0.49
▸ HIPK2 Q9H2X6 3/20 0.49
▸ PIM1 P11309 3/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ IRAK4 Q9NWZ3 2/20 0.49
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ DYRK1A Q13627 6/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ DYRK1B Q9Y463 4/20 0.38

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
SCHEMBL20688009 0.85 KDM4E (0.47) CDC7CDK2ROCK2PRKACAHIPK2
SCHEMBL21948058 0.78 KDM4E (0.47) CDC7CDK2ROCK2PRKACAHIPK2
SCHEMBL21964836 0.77 CDC7 (0.49) CDC7CDK2ROCK2PRKACAHIPK2
SCHEMBL20697424 0.77 KMT2A (0.48) CDK2MEN1KMT2AATMMAPT
SCHEMBL21948982 0.75 CDC7 (0.49) CDC7CDK2ROCK2PRKACAHIPK2
SCHEMBL20689484 0.75 KDM4E (0.45) CDC7CDK2ROCK2PRKACAHIPK2
SCHEMBL20689336 0.75 KDM4E (0.45) CDK2MEN1KMT2AATMMAPT
SCHEMBL22252351 0.74 CDC7 (0.44) CDC7CDK2ROCK2PRKACAHIPK2
SCHEMBL21961843 0.74 KDM4E (0.47) CDC7CDK2ROCK2PRKACAHIPK2
SCHEMBL21961725 0.74 KDM4E (0.49) CDK2MEN1KMT2AATMMAPT

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CDC7 621/4885CDK2 342/4885ROCK2 246/4885

“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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