SCHEMBL1600224

SCHEMBL1600224

Cc1ccc(Nc2nc(Cl)ccc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.43
▸ GAA P10253 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ AGPAT2 O15120 1/20 0.39

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
SCHEMBL12727110 0.82 RAB9A (0.47) MAPTGAATDP1RAB9ANPC1
SCHEMBL13730057 0.82 BCL6 (0.51) MAPTGAATDP1NPY5RMEN1
SCHEMBL12705388 0.81 DHFR (0.53) MAPTGAATDP1RAB9ANPC1
SCHEMBL17077872 0.80 RAB9A (0.47) MAPTRAB9ANPC1AHRMEN1
SCHEMBL16264851 0.77 MEN1 (0.45) MAPTGAATDP1RAB9ANPC1
SCHEMBL27252315 0.74 TNF (0.52) RAB9ANPC1NR1I2AHRKMT2A
SCHEMBL30827642 0.74 TNF (0.52) RAB9ANPC1NR1I2AHRKMT2A
SCHEMBL1502908 0.74 SIRT2 (0.38) MAPTGAATDP1RAB9ANPC1
SCHEMBL29556882 0.74 SIRT2 (0.38) MAPTGAATDP1RAB9ANPC1
SCHEMBL718271 0.73 MAPT (0.51) MAPTTDP1RAB9ANPC1MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 — — EP disclosed
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 — — EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 — — US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 — — US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 — — US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 — — US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 — — US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 — — US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 — — US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 — — US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 — — EP disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 — — EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 — — US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 — — 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A MAPT 3744/4885GAA 1594/4885TDP1 4592/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPT 3744/4885GAA 1594/4885TDP1 4592/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPT 3950/4885GAA 597/4885TDP1 4014/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPT 3744/4885GAA 1594/4885TDP1 4592/4885

“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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