SCHEMBL4183278

SCHEMBL4183278

Nc1ccnc(C2CCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
HRH4 Q9H3N8 4/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.39
KMO O15229 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
HDAC4 P56524 2/20 0.37
HDAC3 O15379 1/20 0.37

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
SCHEMBL30073115 0.98 KDM4E (0.44) CHRNA7KDM4EMAPTGFERASIC3
SCHEMBL18956812 0.98 KDM4E (0.44) CHRNA7KDM4EMAPTGFERASIC3
SCHEMBL29851723 0.96 CHRNA7 (0.46) CHRNA7KDM4EMAPTGFERASIC3
SCHEMBL18957072 0.96 CHRNA7 (0.46) CHRNA7KDM4EMAPTGFERASIC3
SCHEMBL12068738 0.92 ADORA2A (0.45) CHRNA7KDM4EMAPTGFERASIC3
SCHEMBL3388660 0.83 ASIC3 (0.44) CHRNA7KDM4EMAPTGFERASIC3
SCHEMBL13858261 0.83 HRH4 (0.49) MAPTASIC3HRH4ADORA2AADORA1
SCHEMBL5559958 0.83 PIK3CD (0.43) CHRNA7ASIC3ADORA2AADORA1HDAC4
SCHEMBL23612242 0.81 CHEK1 (0.52)
SCHEMBL29988658 0.81 CHEK1 (0.52)

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 19 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-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 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
CN-109071563-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2018-12-21 CN 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
WO-2018103058-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO 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
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
WO-2010019606-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-02-18 WO disclosed
US-7612076-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-11-03 US disclosed
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES NETTEKOVEN MATTHIAS HEINRICH 2009-02-12 US disclosed
US-7456175-B2 Piperazinyl-pyridine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-25 US disclosed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 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 (9 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 CHRNA7 2648/4885KDM4E 1639/4885MAPT 4298/4885
US-20060135528-A1 Piperazinyl-pyridine derivatives HRH4, HRH3, H1-3 CHRNA7 181/4885KDM4E 541/4885MAPT 2843/4885
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 CHRNA7 2376/4885KDM4E 1762/4885MAPT 4289/4885
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 CHRNA7 2648/4885KDM4E 1639/4885MAPT 4298/4885
US-20170283431-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 CHRNA7 2376/4885KDM4E 1762/4885MAPT 4289/4885
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 CHRNA7 2376/4885KDM4E 1762/4885MAPT 4289/4885
US-20090042903-A1 PIPERAZINYL-PYRIDINE DERIVATIVES HRH4, HRH3, H1-3 CHRNA7 181/4885KDM4E 541/4885MAPT 2843/4885
US-20120108585-A1 BENZOXAZOLES, BENZTHIAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRNA7 2536/4885KDM4E 1660/4885MAPT 703/4885
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, MYLK2 CHRNA7 2376/4885KDM4E 1762/4885MAPT 4289/4885

“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.