SCHEMBL17339405

SCHEMBL17339405

NCc1cc(B(O)O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.45
ENPP2 Q13822 6/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.34
TTR P02766 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MGLL Q99685 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
SCHEMBL2722490 0.84 F11 (0.45) F11ENPP2CA1CA2KDM4E
SCHEMBL29650231 0.84 F11 (0.45) F11ENPP2CA1CA2KDM4E
Hydrochloric Acid SCHEMBL17645949 0.82 F11 (0.48) F11ENPP2CA1CA2KDM4E
SCHEMBL29951218 0.82 ENPP2 (0.44) F11ENPP2CA1CA2TTR
SCHEMBL1019278 0.82 ENPP2 (0.44) F11ENPP2CA1CA2TTR
SCHEMBL3082470 0.80 LPL (0.47) ENPP2CA1CA2
SCHEMBL18705814 0.77 KDM4E (0.45) ENPP2CA1CA2KDM4EALDH1A1
SCHEMBL22249682 0.76 ENPP2 (0.34) ENPP2CA1CA2KDM4ETTR
Hydrochloric Acid SCHEMBL20768995 0.76 KDM4E (0.44) F11KDM4EALDH1A1TAAR1
SCHEMBL5688518 0.76 ENPP2 (0.38) ENPP2CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119281-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY INC (US) 2019-04-25 US disclosed
EP-3154978-B1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE LOXO ONCOLOGY INC (US) 2019-04-03 EP disclosed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN disclosed
US-9975897-B2 Pyrazolopyrimidine derivatives useful as inhibitors of Bruton's tyrosine kinase LOXO ONCOLOGY, INC. (US) 2018-05-22 US disclosed
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase LOXO ONCOLOGY, INC. 2017-05-11 US disclosed
EP-3154978-A1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE Redx Pharma Plc (GB) 2017-04-19 EP disclosed
WO-2015189620-A1 PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF BRUTON'S TYROSINE KINASE REDX PHARMA PLC (GB) 2015-12-17 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 (2 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-20190119281-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK F11 912/4885ENPP2 999/4885CA1 4709/4885
US-20170129897-A1 Pyrazolopyrimidine Derivatives Useful as Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LCK F11 912/4885ENPP2 999/4885CA1 4709/4885

“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.