SCHEMBL14693536

SCHEMBL14693536

CN(C(=O)C=CCN(C)C1CC1)c1cccc(-n2nc(-c3ccc(Cl)cc3)c3c(N)ncnc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 10/20 0.50
▸ HDAC1 Q13547 6/20 0.47
▸ BTK Q06187 6/20 0.47
▸ HDAC3 O15379 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ HCK P08631 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ LCK P06239 5/20 0.44
▸ YES1 P07947 1/20 0.44
▸ FGR P09769 1/20 0.44
▸ EGFR P00533 8/20 0.42
▸ ITK Q08881 4/20 0.42

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
SCHEMBL14693535 1.00 SRC (0.50) SRCHDAC1BTKHDAC3ABL1
SCHEMBL18380708 0.93 BTK (0.46) SRCHDAC1BTKABL1HCK
SCHEMBL14693569 0.92 SRC (0.54) SRCHDAC1BTKHDAC3ABL1
SCHEMBL14693570 0.92 SRC (0.54) SRCHDAC1BTKHDAC3ABL1
SCHEMBL14706398 0.91 SRC (0.51) SRCHDAC1BTKABL1HCK
SCHEMBL18380714 0.90 SRC (0.45) SRCHDAC1BTKABL1LCK
SCHEMBL14575862 0.90 BTK (0.55) BTKLCKEGFRITK
SCHEMBL14575859 0.90 BTK (0.55) BTKLCKEGFRITK
SCHEMBL18380715 0.89 SRC (0.44) SRCHDAC1BTKLCKEGFR
SCHEMBL14706386 0.89 SRC (0.50) SRCHDAC1BTKABL1HCK

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 43/4885HDAC1 1548/4885BTK 1/4885

“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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