SCHEMBL19836242

SCHEMBL19836242

Nc1nc(Nc2ccc(O[C@H]3CCNC[C@@H]3F)c(C(F)(F)F)c2)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 3/20 0.41
▸ ULK1 O75385 5/20 0.41
▸ ULK2 Q8IYT8 2/20 0.40
▸ CHEK1 O14757 4/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ CDK1 P06493 1/20 0.37

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
SCHEMBL19836220 1.00 TBK1 (0.41) TBK1ULK1ULK2CHEK1LRRK2
SCHEMBL19836407 0.90 ULK1 (0.40) ULK1ULK2CHEK1AURKAKDR
SCHEMBL19836663 0.89 BCL6 (0.43) TBK1LRRK2
SCHEMBL18994995 0.86 CHEK1 (0.49) ULK1ULK2CHEK1AURKAKDR
SCHEMBL18995042 0.79 BCL6 (0.42) —
SCHEMBL18995069 0.78 ULK1 (0.44) ULK1ULK2AURKAKDRAURKB
SCHEMBL15337482 0.76 ULK1 (0.40) TBK1ULK1ULK2CHEK1
SCHEMBL15337710 0.76 ULK1 (0.40) TBK1ULK1ULK2CHEK1
SCHEMBL19527806 0.76 ULK1 (0.40) TBK1ULK1ULK2CHEK1
SCHEMBL15337651 0.76 ULK1 (0.40) TBK1ULK1ULK2CHEK1

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-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

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-10005777-B2 Protein kinase C inhibitors and uses thereof PRKCH, PRKCA, PRKCB TBK1 130/4885ULK1 282/4885ULK2 313/4885
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB TBK1 130/4885ULK1 282/4885ULK2 313/4885

“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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