SCHEMBL457288

SCHEMBL457288

Cc1cnc(-c2ccccc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
ASIC3 Q9UHC3 2/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
ACHE P22303 1/20 0.46
MAPT P10636 2/20 0.42
CASP1 P29466 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL21568765 0.85 LDHA (0.57) LDHAASIC3GSK3AGSK3BNPC1
SCHEMBL29507311 0.82 LDHA (0.62) LDHAASIC3GSK3AGSK3BNPC1
SCHEMBL2481915 0.82 LDHA (0.62) LDHAASIC3GSK3AGSK3BNPC1
SCHEMBL28784756 0.82 ASIC3 (0.53) LDHAASIC3GSK3AGSK3BNPC1
SCHEMBL458363 0.81 ADORA2A (0.46) NPC1RAB9ASMN1; SMN2ADORA2AADORA1
SCHEMBL458804 0.81 CYP3A4 (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL30480541 0.80 LDHA (0.56) LDHAASIC3GSK3AGSK3BNPC1
SCHEMBL13299607 0.80 LDHA (0.56) LDHAASIC3GSK3AGSK3BNPC1
SCHEMBL19454849 0.78 LDHA (0.59) LDHAASIC3NPC1RAB9APDGFRB
SCHEMBL28610327 0.78 NPC1 (0.51) LDHAASIC3GSK3AGSK3BNPC1

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 31 patents — showing the first 20. 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-7345054-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-18 US disclosed
US-7345054-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-18 US disclosed
US-7345054-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-18 US disclosed
US-7304061-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
US-7304061-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
US-7304061-B2 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-04 US disclosed
US-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 US disclosed
EP-1506189-A1 PYRROLE DERIVATIVES AS INHIBITORS OF ERK2 AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2005-02-16 EP disclosed
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-12 US disclosed
WO-2003091246-A1 PYRROLE DERIVATIVES AS INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-06 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 (7 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 LDHA 2846/4885ASIC3 4303/4885GSK3A 271/4885
US-20190284204-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 LDHA 3072/4885ASIC3 4269/4885GSK3A 216/4885
US-20050234059-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, MAPK3, CDK1 LDHA 4596/4885ASIC3 3715/4885GSK3A 43/4885
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 LDHA 2846/4885ASIC3 4303/4885GSK3A 271/4885
US-20190284203-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, MYLK2 LDHA 3072/4885ASIC3 4269/4885GSK3A 216/4885
US-20040029857-A1 Heterocyclic inhibitors of ERK2 and uses thereof CDK2, CDK1, CDK3 LDHA 4077/4885ASIC3 3977/4885GSK3A 6/4885
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, MYLK2 LDHA 3072/4885ASIC3 4269/4885GSK3A 216/4885

“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.