SCHEMBL17694838

SCHEMBL17694838

CC1(C)C[C@H](c2nc(Nc3ccc(OC4CCNCC4)c(C(F)(F)F)c3)nc(N)c2F)C[C@@H]2CCCN21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CDK4 P11802 3/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ BRAF P15056 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ CCND1 P24385 2/20 0.31
▸ CCND2 P30279 1/20 0.31
▸ CCND3 P30281 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31

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
SCHEMBL17694847 0.90 TBK1 (0.33) —
SCHEMBL17694843 0.90 TBK1 (0.33) —
SCHEMBL17694845 0.89 TBK1 (0.34) —
SCHEMBL17694844 0.82 TBK1 (0.39) —
SCHEMBL15337495 0.79 ULK1 (0.42) CHEK1CDK4CSF1RCDK6CCND1
SCHEMBL18994995 0.72 CHEK1 (0.49) CTSSCTSKCHEK1CDK4CSF1R
SCHEMBL15337651 0.69 ULK1 (0.40) CHEK1
SCHEMBL15337482 0.69 ULK1 (0.40) CHEK1
SCHEMBL19830190 0.69 ULK1 (0.40) CHEK1
SCHEMBL15337710 0.69 ULK1 (0.40) CHEK1

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 CTSS 2398/4885CTSK 1047/4885CHEK1 328/4885
US-20160257681-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB CTSS 2398/4885CTSK 1047/4885CHEK1 328/4885
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB CTSS 2398/4885CTSK 1047/4885CHEK1 328/4885

“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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