SCHEMBL25222285

SCHEMBL25222285

N#CN=C(NCCCCCCC1CCN(C(=O)c2ccco2)C1)Nc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ NAMPT P43490 3/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL25642282 1.00 PTPN2 (0.43) PTPN2PTPN1TP53TSHRPKM
SCHEMBL25261833 1.00 PTPN2 (0.43) PTPN2PTPN1TP53TSHRPKM
SCHEMBL25642221 1.00 PTPN2 (0.43) PTPN2PTPN1TP53TSHRPKM
SCHEMBL19834860 0.95 PTPN2 (0.46) PTPN2PTPN1TP53TSHRPOLB
SCHEMBL19834801 0.94 PTPN2 (0.47) PTPN2PTPN1TP53TSHRPOLB
SCHEMBL25642269 0.92 NAMPT (0.41) PTPN2PTPN1PKMPOLBTDP1
SCHEMBL25228313 0.92 NAMPT (0.41) PTPN2PTPN1PKMPOLBTDP1
SCHEMBL25642288 0.92 NAMPT (0.41) PTPN2PTPN1PKMPOLBTDP1
SCHEMBL25643928 0.92 NAMPT (0.41) PTPN2PTPN1PKMPOLBTDP1
SCHEMBL25643904 0.92 NAMPT (0.41) PTPN2PTPN1PKMPOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091385-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-09-17 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
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-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — 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
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — 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 (4 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 PTPN2 3104/4885PTPN1 3236/4885TP53 1853/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT PTPN2 3051/4885PTPN1 3174/4885TP53 1655/4885
US-12091385-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT PTPN2 3051/4885PTPN1 3174/4885TP53 1655/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT PTPN2 3051/4885PTPN1 3174/4885TP53 1655/4885

“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.

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