SCHEMBL21333052

SCHEMBL21333052

Cc1c(C(=O)Cn2cc(Br)c(C#N)cc2=O)cnn1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.42
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 3/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
PFKFB3 Q16875 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL21333188 0.89 S1PR2 (0.43) S1PR2KMT2ASMN1; SMN2KDM4EPFKFB3
SCHEMBL21333210 0.87 S1PR2 (0.39) S1PR2KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL21332883 0.85 S1PR2 (0.44) S1PR2KMT2ASMN1; SMN2KDM4EPFKFB3
SCHEMBL21333116 0.85 KMT2A (0.46) S1PR2KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL21332874 0.82 KMT2A (0.45) S1PR2KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL21332946 0.81 S1PR2 (0.47) S1PR2KMT2ASMN1; SMN2KDM4EPFKFB3
SCHEMBL21333333 0.80 KMT2A (0.43) S1PR2KMT2ASMN1; SMN2KDM4EPFKFB3
SCHEMBL21332979 0.80 KDM4E (0.43) S1PR2KMT2ASMN1; SMN2KDM4EPFKFB3
SCHEMBL30866453 0.78 CREBBP (0.43) S1PR2KMT2ASMN1; SMN2PTGDR2
SCHEMBL21333532 0.77 KDM4E (0.44) S1PR2KMT2ASMN1; SMN2KDM4EPFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762377-B1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF UNIV CORNELL (US) 2025-08-20 EP disclosed
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof CORNELL UNIVERSITY (US) 2024-04-23 US disclosed
EP-3762377-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF Cook, Timothy, H. (US) 2021-01-13 EP disclosed
US-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2020-12-31 US disclosed
WO-2019173790-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF HLA TIMOTHY (US) 2019-09-12 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 (2 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-20200407339-A1 PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND USES THEREOF PTGER1, LOXL1, COL1A1 S1PR2 601/4885KMT2A 4385/4885SMN1; SMN2 3979/4885
US-11964960-B2 Pyridinone- and pyridazinone-based compounds and uses thereof PTGER1, LOXL1, COL1A1 S1PR2 601/4885KMT2A 4385/4885SMN1; SMN2 3979/4885

“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.