SCHEMBL13291530

SCHEMBL13291530

Cc1cc2cc(OCCN3CCCCC3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 3/20 0.48
▸ PSMB5 P28074 3/20 0.48
▸ PSMB2 P49721 3/20 0.48
▸ KDM4E B2RXH2 5/20 0.47
▸ POLB P06746 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GPR4 P46093 1/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ FLT3 P36888 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL13291514 0.90 BRD4 (0.49) KDM4EMEN1KMT2AGPR4PDGFRB
SCHEMBL30597772 0.86 KDM4E (0.49) PSMB1PSMB5PSMB2KDM4EPOLB
SCHEMBL3043613 0.82 PSMB1 (0.49) PSMB1PSMB5PSMB2KDM4EPOLB
SCHEMBL28917884 0.81 PSMB1 (0.47) PSMB1PSMB5PSMB2KDM4EPOLB
SCHEMBL13291506 0.81 NR1H2 (0.41) KDM4EHRH3
SCHEMBL16424238 0.77 HRH3 (0.52) KDM4EPOLBKMT2AHRH3
SCHEMBL5315294 0.77 AURKA (0.59) PDGFRBPDGFRAFLT3HRH3
SCHEMBL12685165 0.77 AKR1C3 (0.57) KDM4EMEN1KMT2A
SCHEMBL13646769 0.75 AKR1C3 (0.43) KDM4EMEN1KMT2A
SCHEMBL8646222 0.75 AKR1C3 (0.43) KDM4EPOLBMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 — — US disclosed
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 — — US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 — — EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 — — US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 — — 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 PSMB1 3842/4885PSMB5 1200/4885PSMB2 3729/4885

“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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