SCHEMBL5111733

SCHEMBL5111733

Cn1c(C(=O)O)cc2cccc(Oc3ccnc(CN4CCCC4)c3)c21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.45
▸ KDM5C P41229 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ GFER P55789 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ CCR2 P41597 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 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
SCHEMBL5110646 0.99 SLC6A4 (0.46) SLC6A4KDM5CKDM4CPPARGGFER
SCHEMBL5117800 0.93 SLC6A4 (0.42) SLC6A4KDM5CKDM4CPPARGGFER
SCHEMBL5111483 0.92 SLC6A4 (0.38) SLC6A4KDM5CKDM4CPPARGCCR2
SCHEMBL5124452 0.86 PPARG (0.40) PPARGGFERLNPEPCCR2ALDH1A1
SCHEMBL5125532 0.86 PPARG (0.48) PPARGGFERLNPEPCCR2ALDH1A1
SCHEMBL5117903 0.85 PPARG (0.39) PPARGGFERLNPEPCCR2ALDH1A1
SCHEMBL5125400 0.83 PPARG (0.39) PPARGGFERLNPEPCCR2ALDH1A1
SCHEMBL5125545 0.83 TMEM97 (0.36) CCR2MEN1KMT2AALDH1A1MCL1
SCHEMBL5118648 0.82 SRD5A2 (0.46) PPARGGFERLNPEPCCR2ALDH1A1
SCHEMBL14276265 0.81 PIK3CA (0.40) SLC6A4ALDH1A1KDM4EPOLB

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 — — US claimed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 — — US disclosed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 — — US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 — — US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 — — US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 — — EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 — — WO disclosed
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 — — US disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 — — 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 (3 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-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 SLC6A4 4862/4885KDM5C 3618/4885KDM4C 4304/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 SLC6A4 3486/4885KDM5C 4457/4885KDM4C 4634/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 SLC6A4 4868/4885KDM5C 3480/4885KDM4C 4114/4885

“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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