SCHEMBL20358616

SCHEMBL20358616

CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ccnc4[nH]nc(NC5CCC(O)CC5)c34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.46
▸ NR1H4 Q96RI1 8/20 0.46
▸ BTK Q06187 4/20 0.45
▸ FLT3 P36888 3/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ KIT P10721 1/20 0.45
▸ MAP3K19 Q56UN5 1/20 0.45
▸ TYRO3 Q06418 2/20 0.43
▸ MERTK Q12866 2/20 0.43
▸ GAS6 Q14393 2/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL20358617 1.00 EPHX2 (0.46) EPHX2NR1H4BTKFLT3PDGFRB
SCHEMBL20359032 0.87 BTK (0.50) EPHX2NR1H4BTK
SCHEMBL20359033 0.87 BTK (0.50) EPHX2NR1H4BTK
SCHEMBL20358655 0.84 BTK (0.46) BTKKIT
SCHEMBL20358654 0.84 BTK (0.46) BTKKIT
SCHEMBL20358519 0.82 BTK (0.45) EPHX2NR1H4BTK
SCHEMBL20358517 0.82 BTK (0.45) EPHX2NR1H4BTK
SCHEMBL20358621 0.81 GSK3A (0.42) NR1H4BTKFLT3KITTYRO3
SCHEMBL20358624 0.81 GSK3A (0.42) NR1H4BTKFLT3KITTYRO3
SCHEMBL20359076 0.81 BTK (0.49) NR1H4BTKNAMPT

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 4 patents. 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 claimed
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
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
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 EPHX2 2158/4885NR1H4 4622/4885BTK 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.

Send feedback