SCHEMBL6345615

SCHEMBL6345615

Cc1c[nH]c2cc(C(=O)N(CC(=O)N3CCC(Nc4cccnc4)CC3)c3ccccc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGLEC9 Q9Y336 2/20 0.47
▸ F10 P00742 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ JUN P05412 3/20 0.39
▸ MAPK8 P45983 3/20 0.39
▸ MAPK9 P45984 3/20 0.39
▸ MAPK10 P53779 3/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ BTK Q06187 2/20 0.38
▸ HTT P42858 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ BLK P51451 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL6352461 0.91 JUN (0.42) SIGLEC9F10EPHX2JUNMAPK8
SCHEMBL6343493 0.90 SIGLEC9 (0.46) SIGLEC9F10EPHX2JUNMAPK8
SCHEMBL6354632 0.86 SIGLEC9 (0.44) SIGLEC9F10EPHX2JUNMAPK8
SCHEMBL6343484 0.83 SPR (0.41) F10EPHX2HTTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6344568 0.81 CDK2 (0.42) SIGLEC9F10EPHX2JUNMAPK8
SCHEMBL6346829 0.81 SIGLEC9 (0.51) SIGLEC9EPHX2ALDH1A1C3AR1
Hydrochloric Acid SCHEMBL6420510 0.79 F10 (0.43) F10ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4835864 0.79 F10 (0.47) F10ALDH1A1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4844439 0.78 CACNA2D1 (0.46) F10HTTALDH1A1CYP1A2CYP3A4
SCHEMBL4840453 0.78 THRB (0.41) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 — — US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 — — US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 — — EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 — — US disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 — — EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 — — 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 (2 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 SIGLEC9 667/4885F10 69/4885EPHX2 1259/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 SIGLEC9 925/4885F10 60/4885EPHX2 1576/4885

“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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