SCHEMBL12705388

SCHEMBL12705388

Cc1ccc(Nc2ccc(N)c(Nc3ccc(C)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 3/20 0.53
▸ MAPT P10636 5/20 0.44
▸ GAA P10253 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ SCN5A Q14524 1/20 0.44
▸ SCN9A Q15858 1/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ NPY5R Q15761 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HAO1 Q9UJM8 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ POLB P06746 2/20 0.41

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 0.84 RAB9A (0.47) DHFRMAPTGAATDP1RAB9A
SCHEMBL1600224 0.81 MAPT (0.43) MAPTGAATDP1RAB9ANPY5R
SCHEMBL13730208 0.74 GAA (0.44) DHFRMAPTGAATDP1RAB9A
SCHEMBL1601194 0.73 HSF1 (0.52) MAPTTDP1RAB9AMEN1KMT2A
SCHEMBL3045920 0.72 MAPT (0.64) DHFRMAPTGAATDP1KCNH2
SCHEMBL12705392 0.72 AURKA (0.58) MAPTKCNH2SCN5ASCN9ARAB9A
SCHEMBL2410497 0.72 RAB9A (0.62) DHFRMAPTGAARAB9AMEN1
SCHEMBL14565842 0.71 MEN1 (0.47) MAPTGAARAB9ANPY5RKDM4E
SCHEMBL8251220 0.71 CA12 (0.62) MAPTGAATDP1KCNH2SCN5A
SCHEMBL29645150 0.71 ROCK1 (0.69) DHFRKCNH2SCN9ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 — — US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 — — 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

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-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A DHFR 619/4885MAPT 3744/4885GAA 1594/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B DHFR 414/4885MAPT 3950/4885GAA 597/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A DHFR 619/4885MAPT 3744/4885GAA 1594/4885

“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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