SCHEMBL20358715

SCHEMBL20358715

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE1B Q01064 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ BTK Q06187 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ MCHR1 Q99705 3/20 0.34
▸ CHRM1 P11229 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ BDKRB1 P46663 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ GPR6 P46095 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ THRB P10828 1/20 0.33

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 1.00 PDE1B (0.36) PDE1BMAPTHTR2ABTKELANE
SCHEMBL20365228 0.92 AAK1 (0.38) PDE1BMAPTHTR2ABTKELANE
SCHEMBL20358717 0.86 MAPT (0.35) MAPTBTKMCHR1BDKRB1FFAR4
SCHEMBL20359891 0.83 BTK (0.37) PDE1BHTR2ABTKELANEMCHR1
SCHEMBL20359888 0.83 BTK (0.37) PDE1BHTR2ABTKELANEMCHR1
SCHEMBL20359337 0.81 PDE1B (0.40) PDE1BMCHR1CHRM1HRH1KCNH2
SCHEMBL20359332 0.81 PDE1B (0.40) PDE1BMCHR1CHRM1HRH1KCNH2
SCHEMBL20359569 0.81 CNR2 (0.41) BTKMCHR1FFAR4
SCHEMBL20359570 0.81 CNR2 (0.41) BTKMCHR1FFAR4
SCHEMBL20359566 0.77 BTK (0.38) PDE1BHTR2ABTKELANEMCHR1

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 PDE1B 409/4885MAPT 4332/4885HTR2A 4091/4885

“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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