SCHEMBL25642253

SCHEMBL25642253

N#C/N=C(/NCCCCCC1CCN(C(=O)c2cc3ccccc3[nH]2)C1)Nc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 9/20 0.53
▸ NAMPT P43490 2/20 0.42
▸ DRD3 P35462 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 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
SCHEMBL25642309 1.00 AKR1C3 (0.53) AKR1C3NAMPTDRD3HRH4SLC6A2
SCHEMBL25275089 1.00 AKR1C3 (0.53) AKR1C3NAMPTDRD3HRH4SLC6A2
SCHEMBL25643880 1.00 AKR1C3 (0.53) AKR1C3NAMPTDRD3HRH4SLC6A2
SCHEMBL25643970 1.00 AKR1C3 (0.53) AKR1C3NAMPTDRD3HRH4SLC6A2
SCHEMBL25273434 1.00 AKR1C3 (0.53) AKR1C3NAMPTDRD3HRH4SLC6A2
SCHEMBL25735209 0.88 AKR1C3 (0.59) AKR1C3NAMPTDRD3HRH4SLC6A2
SCHEMBL25735166 0.88 AKR1C3 (0.59) AKR1C3NAMPTDRD3HRH4SLC6A2
SCHEMBL25221361 0.86 NAMPT (0.40) NAMPT
SCHEMBL25225074 0.86 NAMPT (0.40) NAMPT
SCHEMBL25642281 0.86 NAMPT (0.40) NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 AKR1C3 1604/4885NAMPT 1/4885DRD3 3590/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT AKR1C3 1653/4885NAMPT 1/4885DRD3 3620/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT AKR1C3 1653/4885NAMPT 1/4885DRD3 3620/4885

“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.

Send feedback