SCHEMBL20359552

SCHEMBL20359552

COc1ccc(Cn2nc(NC3CCN(C(=O)O)C3)c3c(-c4ccc(CNC(=O)C(F)(F)F)c(F)c4)ccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.39
▸ GPR6 P46095 3/20 0.37
▸ MLNR O43193 4/20 0.36
▸ MC4R P32245 2/20 0.36
▸ BDKRB1 P46663 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL20359551 1.00 BTK (0.39) BTKGPR6MLNRMC4RBDKRB1
SCHEMBL20365237 0.93 EPHX2 (0.40) BTKMLNRPIK3CDPIK3CA
SCHEMBL20359117 0.90 BTK (0.44) BTK
SCHEMBL20359114 0.90 BTK (0.44) BTK
SCHEMBL20360088 0.90 MC4R (0.38) BTKGPR6MLNRMC4RPIK3CD
SCHEMBL20360092 0.90 MC4R (0.38) BTKGPR6MLNRMC4RPIK3CD
SCHEMBL20358811 0.88 BTK (0.40) BTKMC4RBDKRB1
SCHEMBL20358805 0.88 BTK (0.40) BTKMC4RBDKRB1
SCHEMBL20358600 0.87 BTK (0.41) BTK
SCHEMBL20359592 0.87 BTK (0.47) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2018-07-12 — — 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-20180194762-A1 PYRAZOLO[3,4-b]PYRIDINE AND PYRROLO[2,3-b]PYRIDINE INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LCK BTK 1/4885GPR6 3328/4885MLNR 1993/4885

“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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