SCHEMBL20516319

SCHEMBL20516319

C[C@H](Oc1cc(Br)ccc1C#N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
XDH P47989 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20516320 1.00 KMT2A (0.43) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL23849532 0.86 AAK1 (0.42) AAK1LMNAATMSMN1; SMN2
SCHEMBL29512402 0.86 AAK1 (0.42) AAK1LMNAATMSMN1; SMN2
SCHEMBL23849531 0.86 AAK1 (0.42) AAK1LMNAATMSMN1; SMN2
SCHEMBL23927017 0.81 XDH (0.42) AAK1XDH
SCHEMBL11190342 0.80 AAK1 (0.39) TSHRHTR2AHTR2CHTR2BAAK1
SCHEMBL11297323 0.80 KMT2A (0.49) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL233034 0.78 TDP1 (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL20516276 0.78 AAK1 (0.40) AAK1SMN1; SMN2
SCHEMBL20516274 0.78 AAK1 (0.40) AAK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110799190-B Heterocyclic compounds 卡都瑞恩医药有限公司 2024-04-19 CN disclosed
CN-113365632-B Aminopyrimidine compounds 卡都瑞恩医药有限公司 2024-03-08 CN disclosed
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CARDURION PHARMACEUTICALS, INC. (US) 2023-10-24 US disclosed
CN-116940354-A Fused heteroaryl compounds and their use as CaMKII inhibitors 卡都瑞恩医药股份有限公司 2023-10-24 CN disclosed
EP-4216948-A1 FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS Cardurion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
EP-3856188-B1 AMINOPYRIMIDINE COMPOUND CARDURION PHARMACEUTICALS INC (US) 2023-06-21 EP disclosed
US-11197858-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2021-12-14 US disclosed
CN-113365632-A Aminopyrimidine compounds 卡都瑞恩医药有限责任公司 2021-09-07 CN disclosed
EP-3856188-A1 AMINOPYRIMIDINE COMPOUND Cardurion Pharmaceuticals, LLC (US) 2021-08-04 EP disclosed
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES CARDURION PHARMACEUTICALS, LLC (US) 2020-07-23 US disclosed
WO-2020068854-A1 AMINOPYRIMIDINE COMPOUND CARDURION PHARMACEUTICALS, LLC (US) 2020-04-02 WO disclosed
WO-2020068846-A1 HETEROCYCLIC COMPOUND HETEROCYCLIC COMPOUND (US) 2020-04-02 WO disclosed
US-20200095240-A1 AMINOPYRIMIDINE COMPOUND CARDURION PHARMACEUTICALS, LLC 2020-03-26 US disclosed
CN-110799190-A Heterocyclic compounds 卡都瑞恩医药有限责任公司 2020-02-14 CN disclosed
EP-3600327-A1 HETEROCYCLIC COMPOUND Cardurion Pharmaceuticals, LLC (US) 2020-02-05 EP disclosed
US-10543212-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2020-01-28 US disclosed
US-20180280389-A1 HETEROCYCLIC COMPOUND CARDURION PHARMACEUTICALS, LLC (US) 2018-10-04 US disclosed
WO-2018183112-A1 HETEROCYCLIC COMPOUND CARDURION PHARMACEUTICALS, LLC (US) 2018-10-04 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-11197858-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G KMT2A 653/4885TSHR 1038/4885HTR2A 807/4885
US-20180280389-A1 HETEROCYCLIC COMPOUND CALM1, CAMK2B, CAMK2G KMT2A 1477/4885TSHR 1125/4885HTR2A 2381/4885
US-20200095240-A1 AMINOPYRIMIDINE COMPOUND CALM1, CAMK4, CAMK2B KMT2A 1599/4885TSHR 2471/4885HTR2A 2783/4885
US-10543212-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G KMT2A 653/4885TSHR 1038/4885HTR2A 807/4885
US-20200230137-A1 SUBSTITUTED AMINES FOR TREATING CARDIAC DISEASES TNNI3, CALM1, CAMK2G KMT2A 653/4885TSHR 1038/4885HTR2A 807/4885
US-11795172-B2 Substituted imidazo[1,2-b]pyridazines and [1,2,4]triazolo[4,3-b]pyridazines as CaMKII inhibitors CAMK2B, RYR2, CAMK2A KMT2A 2261/4885TSHR 885/4885HTR2A 1228/4885

“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.