SCHEMBL17694845

SCHEMBL17694845

CC1(C)C[C@H](c2nc(Nc3ccc(OC4CCN(C5COC5)CC4)c(C(F)(F)F)c3)nc(N)c2F)C[C@@H]2CCCN21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 15/20 0.34
▸ ATR Q13535 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ JAK2 O60674 4/20 0.33
▸ MAP3K12 Q12852 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL17694844 0.90 TBK1 (0.39) TBK1JAK2
SCHEMBL17694838 0.89 CTSS (0.35) —
SCHEMBL17694843 0.82 TBK1 (0.33) TBK1
SCHEMBL17694847 0.82 TBK1 (0.33) TBK1
SCHEMBL15337703 0.81 ULK1 (0.41) EGFR
SCHEMBL15337510 0.81 ULK1 (0.41) EGFR
SCHEMBL18994999 0.76 ULK1 (0.43) TBK1ATREGFRJAK2
SCHEMBL15337276 0.71 LRRK2 (0.41) TBK1EGFRJAK2
SCHEMBL15337706 0.71 LRRK2 (0.41) TBK1EGFRJAK2
SCHEMBL18061447 0.71 LRRK2 (0.41) TBK1EGFRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 — — EP claimed
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US claimed
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2016-09-08 — — US claimed
US-9321763-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2016-04-26 — — US claimed
US-10005777-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 — — US disclosed
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2018-02-01 — — US disclosed
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 — — EP disclosed
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 — — US disclosed
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof MIDCAP FINANCIAL TRUST 2016-09-08 — — 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 (3 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-10005777-B2 Protein kinase C inhibitors and uses thereof PRKCH, PRKCA, PRKCB TBK1 130/4885ATR 1390/4885EGFR 2299/4885
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB TBK1 130/4885ATR 1390/4885EGFR 2299/4885
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB TBK1 130/4885ATR 1390/4885EGFR 2299/4885

“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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