SCHEMBL2550296

SCHEMBL2550296

N#CN=C(NCCCCCN1CCN(C(=O)c2ccccc2)CC1)Nc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 3/20 0.43
HTR2A P28223 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD3 P35462 3/20 0.43
HTR1A P08908 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR3A P46098 1/20 0.42
CHRNA7 P36544 1/20 0.42
NAMPT P43490 1/20 0.42
KCNA5 P22460 1/20 0.41

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
SCHEMBL2550291 1.00 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL25642148 1.00 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL2552769 0.99 SIGMAR1 (0.47) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL2552771 0.99 SIGMAR1 (0.47) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL2557456 0.91 SIGMAR1 (0.39) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL2557457 0.91 SIGMAR1 (0.39) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL25272743 0.90 HTR2A (0.49) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL25643695 0.90 HTR2A (0.49) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL25642197 0.90 HTR2A (0.49) SIGMAR1DRD2HTR2AMEN1KMT2A
SCHEMBL25643557 0.88 DRD2 (0.42) SIGMAR1DRD2HTR2AMEN1KMT2A

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
WO-2011121055-A1 PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY TOPOTARGET A/S (DK) 2011-10-06 WO claimed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 US disclosed
WO-2011121055-A1 PYRIDINYL DERIVATIVES COMPRISING A CYANOGUANIDINE OR SQUARIC ACID MOIETY TOPOTARGET A/S (DK) 2011-10-06 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 (3 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-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNMT SIGMAR1 3861/4885DRD2 1634/4885HTR2A 1216/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT SIGMAR1 3950/4885DRD2 1688/4885HTR2A 1275/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT SIGMAR1 3950/4885DRD2 1688/4885HTR2A 1275/4885

“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.