SCHEMBL12323

SCHEMBL12323

Cc1ccc2sc(N)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.58
CYP2A6 P11509 4/20 0.53
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
CYP1A2 P05177 2/20 0.44
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NCK1 P16333 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL18965751 0.84 CYP2A6 (0.48) BACE1CYP2A6MAPTRAB9ACYP1A2
SCHEMBL16471396 0.83 MAPT (0.50) BACE1CYP2A6MAPTRAB9ACYP1A2
SCHEMBL27759975 0.78 CYP2A6 (0.58) BACE1CYP2A6MAPTRAB9ACYP1A2
SCHEMBL13495923 0.77 BACE1 (0.57) BACE1MAPTRAB9ATP53SMN1; SMN2
SCHEMBL12430648 0.77 CYP2A6 (0.57) BACE1CYP2A6MAPTRAB9ACYP1A2
SCHEMBL144441 0.77 CYP2A6 (0.57) BACE1CYP2A6MAPTRAB9ACYP1A2
SCHEMBL6958993 0.75 CYP2A6 (0.50) CYP2A6MAPTRAB9ACYP1A2KDM4E
SCHEMBL24303551 0.74 BACE1 (0.53) BACE1CYP2A6MAPTRAB9ACYP1A2
SCHEMBL6399142 0.74 CYP2A6 (0.53) CYP2A6MAPTRAB9ACYP1A2TP53
SCHEMBL13654389 0.74 BACE1 (0.53) BACE1CYP2A6MAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239759-A Conjugated two-dimensional polymer film and preparation method and application thereof 中国科学院宁波材料技术与工程研究所 2023-06-09 CN claimed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
WO-2023274383-A1 KRAS G12D INHIBITOR AND USE THEREOF 上海迪诺医药科技有限公司 2023-01-05 WO disclosed
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 US disclosed
WO-2021195481-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-09-30 WO disclosed
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2021-06-01 US disclosed
US-20200239427-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2020-07-30 US disclosed
US-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-10-15 US disclosed
US-20190282581-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-09-19 US disclosed
US-8642607-B2 4H-chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2014-02-04 US disclosed
US-8642607-B2 4H-chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2014-02-04 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 US disclosed
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-15 US disclosed
US-20120059001-A1 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2012-03-08 US disclosed
US-20120059001-A1 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2012-03-08 US disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 US disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 US disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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 (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-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases PIK3CB, PIK3CD, PDPK1 BACE1 3064/4885CYP2A6 3615/4885MAPT 2596/4885
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB BACE1 2963/4885CYP2A6 4409/4885MAPT 1946/4885
US-11020399-B2 Intermediates useful in the synthesis of compounds as modulators of protein kinases MAP4K2, MAP3K20, MAP3K1 BACE1 4471/4885CYP2A6 2319/4885MAPT 4121/4885
US-20120289496-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB BACE1 2963/4885CYP2A6 4409/4885MAPT 1946/4885
US-20190282581-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB BACE1 2963/4885CYP2A6 4409/4885MAPT 1946/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB BACE1 3189/4885CYP2A6 4398/4885MAPT 2989/4885
US-20200239427-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB BACE1 3189/4885CYP2A6 4398/4885MAPT 2989/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A BACE1 3453/4885CYP2A6 3540/4885MAPT 3674/4885
US-20120059001-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB BACE1 3189/4885CYP2A6 4398/4885MAPT 2989/4885

“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.