SCHEMBL18957201

SCHEMBL18957201

Nc1c(F)cc(Oc2ccccc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NLRP3 Q96P20 1/20 0.52
▸ RHEB Q15382 1/20 0.45
▸ PLA2G2A P14555 1/20 0.44
▸ MITF O75030 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NLRP1 Q9C000 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ NR1H2 P55055 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
SCHEMBL18956930 0.87 MEN1 (0.44) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL5982011 0.86 HDAC1 (0.38) TSHRMAOBMEN1KMT2ANPC1
SCHEMBL12583966 0.83 ALDH1A1 (0.61) TSHRMAOAMAOBMEN1KMT2A
SCHEMBL18332252 0.79 PARP10 (0.50) MEN1KMT2ARHEBALDH1A1GAA
SCHEMBL30127396 0.79 MAOA (0.54) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL16792619 0.79 MAOA (0.54) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL22185410 0.78 LTA4H (0.52) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL21685812 0.78 CA1 (0.46) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL4336604 0.76 SOS1 (0.56) LTA4HTSHRMAOAMAOBMEN1
SCHEMBL6545667 0.75 LTA4H (0.80) LTA4HTSHRMAOAMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 — — CN disclosed
CN-113105475-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2021-07-13 — — CN disclosed
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-11-03 — — US disclosed
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2020-10-13 — — US disclosed
US-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2020-06-23 — — US disclosed
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — US disclosed
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 — — US disclosed
EP-3386992-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE Janssen Pharmaceutica, N.V. (BE) 2018-10-17 — — EP disclosed
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 — — US disclosed
WO-2017100668-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-06-15 — — 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 (6 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-10689396-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 LTA4H 4258/4885TSHR 4204/4885MAOA 1435/4885
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 LTA4H 4310/4885TSHR 3921/4885MAOA 1083/4885
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 LTA4H 4258/4885TSHR 4204/4885MAOA 1435/4885
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 LTA4H 4310/4885TSHR 3921/4885MAOA 1083/4885
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 LTA4H 4310/4885TSHR 3921/4885MAOA 1083/4885
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, MYLK2 LTA4H 4310/4885TSHR 3921/4885MAOA 1083/4885

“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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