SCHEMBL20474035

SCHEMBL20474035

Nc1cc(C(=O)c2cscn2)nn1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ UTS2R Q9UKP6 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RET P07949 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ NSD3 Q9BZ95 1/20 0.31
▸ PLAT P00750 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ PIM1 P11309 2/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL20474031 0.71 CCNA2 (0.35) PKMUTS2RKDM4EPLATCCNA2
SCHEMBL4532908 0.67 KDM4E (0.67) ALDH1A1PKMKDM4EPIM1
SCHEMBL27877237 0.67 F10 (0.37) KMT2AMEN1ALDH1A1MAPTPKM
SCHEMBL26643742 0.65 HCAR3 (0.41) POLB
SCHEMBL27877217 0.65 OPRM1 (0.36) RETPIM1PIM3PIM2
SCHEMBL28184168 0.65 KDM4E (0.42) UTS2RKDM4EPLAT
SCHEMBL417131 0.65 SMYD3 (0.55) UTS2RKDM4EPOLB
SCHEMBL31738175 0.63 KDM4E (0.40) UTS2RKDM4EPLATPOLB
SCHEMBL2721933 0.63 KDM4E (0.40) UTS2RKDM4E
SCHEMBL13532859 0.62 KDM4E (0.46) KMT2AMEN1ALDH1A1PKMKDM4E

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 KMT2A 1728/4885MEN1 1150/4885ALDH1A1 3372/4885

“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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