SCHEMBL23170641

SCHEMBL23170641

Nc1ccc(Oc2cc(F)cc(F)c2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
NLRP1 Q9C000 1/20 0.42
NOD2 Q9HC29 1/20 0.42
MAOA P21397 2/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MAOB P27338 3/20 0.39
TEAD4 Q15561 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL23170635 0.81 PNLIP (0.36) HSPB1
SCHEMBL13857904 0.79 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL4374841 0.79 HSPB1 (0.58) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL13857891 0.76 NCOA1 (0.49) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL26039648 0.75 HSPB1 (0.70) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL21104547 0.75 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL3563719 0.73 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL2812244 0.73 MAOB (0.47) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL3024118 0.72 HSPB1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL31287801 0.72 HSPB1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739090-B2 Substituted pyrazlo[3,4-c]pyridines as selective BTK kinase inhibitors JUMBO DRUG BANK CO., LTD. (CN) 2023-08-29 US disclosed
US-11739090-B2 Substituted pyrazlo[3,4-c]pyridines as selective BTK kinase inhibitors JUMBO DRUG BANK CO., LTD. (CN) 2023-08-29 US disclosed
WO-2021057893-A1 PYRAZOLOPYRIDINE COMPOUNDS AS SELECTIVE BTK KINASE INHIBITORS 南京明德新药研发有限公司 2021-04-01 WO 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-11739090-B2 Substituted pyrazlo[3,4-c]pyridines as selective BTK kinase inhibitors BTK, SYK, LCK ALDH1A1 4115/4885TDP1 1376/4885CYP3A4 1797/4885

“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.