SCHEMBL18284083

SCHEMBL18284083

Cn1cc(Nc2nc(N3CC(N)CC(F)(F)C3)cnc2C#N)cn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.42
▸ IRAK4 Q9NWZ3 6/20 0.40
▸ IRAK1 P51617 2/20 0.40
▸ JAK2 O60674 10/20 0.38
▸ JAK1 P23458 10/20 0.38
▸ TYK2 P29597 10/20 0.38
▸ JAK3 P52333 4/20 0.38
▸ KDR P35968 1/20 0.36
▸ STAT1 P42224 1/20 0.36

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
Hydrochloric Acid SCHEMBL18284044 0.99 PIK3CD (0.42) PIK3CDIRAK4IRAK1JAK2JAK1
SCHEMBL28857028 0.82 RET (0.47) PIK3CDIRAK4JAK3
SCHEMBL18284053 0.81 JAK3 (0.49) PIK3CDIRAK4JAK2JAK1TYK2
SCHEMBL18283852 0.79 JAK3 (0.46) JAK3
SCHEMBL18296104 0.77 PIK3CD (0.50) PIK3CDIRAK4JAK2JAK1TYK2
SCHEMBL23080834 0.72 JAK3 (0.48) PIK3CDJAK2JAK1TYK2JAK3
SCHEMBL28856908 0.71 JAK3 (0.47) PIK3CDJAK3
SCHEMBL28856906 0.71 JAK3 (0.47) PIK3CDJAK3
SCHEMBL22346927 0.70 JAK3 (0.52) PIK3CDJAK3
SCHEMBL22346924 0.70 JAK3 (0.52) PIK3CDJAK3

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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 — — EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 — — WO 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK PIK3CD 138/4885IRAK4 286/4885IRAK1 214/4885

“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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