SCHEMBL14693595

SCHEMBL14693595

CN(C)CC=CC(=O)N(C)c1ccc(-n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.55
▸ CYP1A2 P05177 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ BTK Q06187 9/20 0.45
▸ EGFR P00533 8/20 0.45
▸ LCK P06239 5/20 0.45
▸ ITK Q08881 4/20 0.45
▸ HDAC1 Q13547 6/20 0.45
▸ ABL1 P00519 2/20 0.44
▸ FYN P06241 2/20 0.44
▸ HCK P08631 2/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ RIPK2 O43353 1/20 0.44
▸ YES1 P07947 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ FGR P09769 1/20 0.44

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
SCHEMBL14693592 1.00 SRC (0.55) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14706398 0.91 SRC (0.51) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14706386 0.90 SRC (0.50) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693569 0.90 SRC (0.54) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693570 0.90 SRC (0.54) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL15086971 0.89 SRC (0.48) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693575 0.89 SRC (0.46) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14693576 0.89 SRC (0.46) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL18380728 0.89 SRC (0.50) SRCCYP1A2MEN1MAPK1KMT2A
SCHEMBL14706387 0.88 SRC (0.48) SRCCYP1A2MEN1MAPK1KMT2A

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 5 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
WO-2013102059-A1 PYRAZOLO [3, 4-D] PYRIMIDINE AND PYRROLO [2, 3-D] PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — WO 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 SRC 43/4885CYP1A2 3563/4885MEN1 4606/4885

“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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