SCHEMBL20474031

SCHEMBL20474031

Nc1cc(C2CCNCC2)nn1C(=O)c1cscn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ F2 P00734 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ PLAT P00750 4/20 0.34
▸ UTS2R Q9UKP6 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TLR9 Q9NR96 2/20 0.32
▸ TLR8 Q9NR97 2/20 0.32
▸ TLR7 Q9NYK1 2/20 0.32
▸ RIPK1 Q13546 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL20474024 0.84 KDM4E (0.32) CCNA2CDK2CCNA1KDM4EPKM
SCHEMBL20474023 0.79 PKM (0.34) KDM4EPKMCNR2TLR9TLR8
SCHEMBL21824368 0.78 PKM (0.31) PKMPOLB
SCHEMBL21824349 0.76 POLB (0.36) PKMCNR2POLB
SCHEMBL21824332 0.75 POLB (0.36) PKMCNR2TLR9TLR8TLR7
SCHEMBL21824339 0.73 HRH4 (0.46) F2HRH4PLATPKM
SCHEMBL21824356 0.72 HRH4 (0.44) F2HRH4PLATPKM
SCHEMBL20473837 0.72 F2 (0.64) F2
Hydrochloric Acid SCHEMBL21824341 0.71 CHRNB2 (0.41) F2HRH4PLATMKNK1MKNK2
SCHEMBL20474035 0.71 KMT2A (0.38) CCNA2CDK2CCNA1PLATUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-08-23 — — 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 (1 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-20180237421-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINE1 CCNA2 4256/4885CDK2 699/4885CCNA1 4035/4885

“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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