SCHEMBL558453

SCHEMBL558453

Nc1cc(-c2ccccc2)ncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 1.00
MIF P14174 1/20 0.59
KMO O15229 2/20 0.56
ADORA2A P29274 3/20 0.53
ADORA1 P30542 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PLK4 O00444 1/20 0.46
JAK2 O60674 1/20 0.46
RET P07949 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL19046507 0.90 ASIC3 (0.81) ASIC3MIFKMOADORA2AADORA1
SCHEMBL284286 0.84 ASIC3 (0.71) ASIC3MIFKMOADORA2AADORA1
SCHEMBL28218682 0.81 ASIC3 (0.68) ASIC3MIFKMOADORA2AADORA1
SCHEMBL29406194 0.81 ASIC3 (0.68) ASIC3MIFKMOADORA2AADORA1
SCHEMBL27904874 0.81 ASIC3 (0.68) ASIC3MIFKMOADORA2AADORA1
SCHEMBL28049525 0.81 ASIC3 (0.67) ASIC3MIFKMONPC1RAB9A
SCHEMBL558077 0.81 ASIC3 (0.68) ASIC3MIFKMOSMN1; SMN2KMT2A
SCHEMBL18731738 0.79 ASIC3 (0.65) ASIC3MIFKMOADORA2AADORA1
SCHEMBL29730373 0.79 ASIC3 (0.65) ASIC3MIFKMOADORA2AADORA1
SCHEMBL17697185 0.79 ASIC3 (0.65) ASIC3MIFKMOADORA2AADORA1

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107739370-A The preparation method and purposes of pyrrolones BRD4 protein inhibitors 中国药科大学 2018-02-27 CN claimed
CN-112010844-B Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2023-07-25 CN disclosed
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
EP-3670520-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2022-01-12 EP 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
CN-107739370-B Preparation method and application of pyrrolidone BRD4 protein inhibitor 中国药科大学 2021-03-30 CN disclosed
CN-112010844-A Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2020-12-01 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
EP-3712145-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SUCH COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-09-23 EP disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1973897-A2 SUBSTITUTED PYRYMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer HealthCare AG (DE) 2008-10-01 EP disclosed
WO-2007075650-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER HEALTHCARE AG (DE) 2007-07-05 WO disclosed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP disclosed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 US disclosed
US-3950525-A BRONCHODILATION, 4-HYDROXY-6-ARYL PYRIMIDINES PFIZER INC. (US) 1976-04-13 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 (4 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-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 ASIC3 3500/4885MIF 3315/4885KMO 2542/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 ASIC3 1435/4885MIF 4879/4885KMO 932/4885
US-10822348-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 ASIC3 4303/4885MIF 2221/4885KMO 4039/4885
US-10800792-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, MYLK2 ASIC3 4269/4885MIF 2213/4885KMO 3809/4885

“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.