SCHEMBL18994995

SCHEMBL18994995

Nc1nc(Nc2ccc(OC3CCNCC3)c(C(F)(F)F)c2)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 4/20 0.49
▸ ULK1 O75385 5/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ SYK P43405 2/20 0.43
▸ ULK2 Q8IYT8 2/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ PTK2 Q05397 2/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40

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
SCHEMBL19836242 0.86 TBK1 (0.41) CHEK1ULK1CDK1ULK2AURKA
SCHEMBL19836220 0.86 TBK1 (0.41) CHEK1ULK1CDK1ULK2AURKA
SCHEMBL19836407 0.85 ULK1 (0.40) CHEK1ULK1CDK1ULK2CSF1R
SCHEMBL18995069 0.85 ULK1 (0.44) ULK1CDK1SYKULK2JAK2
SCHEMBL18994999 0.83 ULK1 (0.43) ULK1CDK1ULK2JAK2KDR
SCHEMBL19836663 0.74 BCL6 (0.43) SYK
SCHEMBL15337495 0.74 ULK1 (0.42) CHEK1ULK1CDK1ULK2CSF1R
SCHEMBL18995042 0.74 BCL6 (0.42) SYK
SCHEMBL18995012 0.73 BCL6 (0.43) SYK
SCHEMBL15337708 0.72 SYK (0.48) SYKCTSSCTSK

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 3 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
US-9682976-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2017-06-20 — — 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 CHEK1 328/4885ULK1 282/4885CDK1 405/4885
US-20180030050-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB CHEK1 328/4885ULK1 282/4885CDK1 405/4885

“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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