SCHEMBL20358717

SCHEMBL20358717

CNCc1ccc(-c2ccnc3c2c(N2CC[C@@H](OC(=O)NC)C2)nn3Cc2ccc(OC)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ BTK Q06187 2/20 0.35
▸ BDKRB1 P46663 2/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CXCR3 P49682 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ GPR6 P46095 1/20 0.32

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
SCHEMBL20358719 0.86 PDE1B (0.36) MAPTBTKBDKRB1MCHR1FFAR4
SCHEMBL20358715 0.86 PDE1B (0.36) MAPTBTKBDKRB1MCHR1FFAR4
SCHEMBL20365228 0.83 AAK1 (0.38) MAPTBTKCNR2
SCHEMBL20359889 0.83 BTK (0.38) BTKMCHR1CNR2ACACB
SCHEMBL20359335 0.82 ACACB (0.40) MAPTCNR2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL20359569 0.80 CNR2 (0.41) BTKMCHR1CNR2FFAR4
SCHEMBL20359570 0.80 CNR2 (0.41) BTKMCHR1CNR2FFAR4
SCHEMBL20365226 0.79 TRPV1 (0.40) BTKCNR2
SCHEMBL20365220 0.78 CNR2 (0.41) BTKCNR2
SCHEMBL20358713 0.75 BTK (0.40) BTKCNR2GPR6

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 MAPT 4332/4885BTK 1/4885BDKRB1 779/4885

“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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