SCHEMBL20359335

SCHEMBL20359335

CNC(=O)O[C@@H]1CCN(c2nn(Cc3ccc(OC)cc3)c3nccc(Cl)c23)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.40
▸ CNR2 P34972 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CXCR3 P49682 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ DGAT1 O75907 1/20 0.35

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
SCHEMBL20359969 0.83 CNR2 (0.40) CNR2ALDH1A1KDM4EMAPT
SCHEMBL20359968 0.83 CNR2 (0.40) CNR2ALDH1A1KDM4EMAPT
SCHEMBL20359466 0.83 CNR2 (0.56) CNR2ALDH1A1KDM4EPOLBLMNA
SCHEMBL20358961 0.83 CNR2 (0.48) CNR2ALDH1A1KDM4EPOLBNR3C1
SCHEMBL20359467 0.83 CNR2 (0.56) CNR2ALDH1A1KDM4EPOLBLMNA
SCHEMBL20359070 0.83 CNR2 (0.48) CNR2ALDH1A1KDM4EPOLBNR3C1
SCHEMBL20360021 0.83 CNR2 (0.40) CNR2ALDH1A1KDM4ECYP2C19POLB
SCHEMBL20358717 0.82 MAPT (0.35) ACACBCNR2MAPTCYP2C9CYP2C19
SCHEMBL20365221 0.81 CNR2 (0.49) CNR2
SCHEMBL20365245 0.81 CNR2 (0.37) CNR2ALDH1A1KDM4EMAPTCYP2C9

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 ACACB 2586/4885CNR2 1439/4885ALDH1A1 4650/4885

“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.

Send feedback