SCHEMBL14693415

SCHEMBL14693415

CN(C)CC=CC(=O)N(C)c1ccc(-n2nc(I)c3c(N)ncnc32)nc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.41
▸ EGFR P00533 7/20 0.38
▸ LCK P06239 4/20 0.37
▸ ITK Q08881 4/20 0.37
▸ FGFR2 P21802 3/20 0.37
▸ KDR P35968 1/20 0.35
▸ LYN P07948 2/20 0.35

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
SCHEMBL14693414 1.00 BTK (0.41) BTKEGFRLCKITKFGFR2
SCHEMBL14693472 0.88 BTK (0.46) BTKEGFRLCKITKFGFR2
SCHEMBL14693470 0.88 BTK (0.46) BTKEGFRLCKITKFGFR2
SCHEMBL14693422 0.85 BTK (0.53) BTKEGFRLCKITKFGFR2
SCHEMBL14693423 0.85 BTK (0.53) BTKEGFRLCKITKFGFR2
SCHEMBL14693576 0.85 SRC (0.46) BTKEGFRLCKITKKDR
SCHEMBL14693575 0.85 SRC (0.46) BTKEGFRLCKITKKDR
SCHEMBL14693516 0.80 FGFR1 (0.41) BTKEGFRLCKITKFGFR2
SCHEMBL14693517 0.80 FGFR1 (0.41) BTKEGFRLCKITKFGFR2
SCHEMBL14693479 0.76 BTK (0.50) BTKEGFRLCKITKFGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546172-B2 Pyrazolo[3,4-d]pyrimidine and pyrazolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-17 — — US disclosed
US-9273051-B2 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2016-03-01 — — US disclosed
US-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — US disclosed
US-8377946-B1 Pyrazolo[3,4-d]pyrimidine and pyrrolo[2,3-d]pyrimidine compounds as kinase inhibitors PHARMACYCLICS, INC. (US) 2013-02-19 — — 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 (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-20130172314-A1 PYRAZOLO[3,4-d]PYRIMIDINE AND PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, LYN BTK 1/4885EGFR 1715/4885LCK 2/4885

“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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