SCHEMBL1643892

SCHEMBL1643892

COc1ccccc1C(=O)c1ccncc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KDM6B O15054 1/20 0.50
▸ KDM4A O75164 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4D Q6B0I6 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CDK5 Q00535 3/20 0.49
▸ CDK5R1 Q15078 3/20 0.49
▸ MAPK13 O15264 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ MAPK11 Q15759 1/20 0.48
▸ MAPK14 Q16539 1/20 0.48

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
SCHEMBL10370235 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL1643711 0.80 KDM4C (0.73) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL2515356 0.79 SMN1; SMN2 (0.52) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL322168 0.79 CTSD (0.62) LMNAALOX15HSD17B10CTSDCNR2
SCHEMBL29658169 0.79 CTSD (0.62) LMNAALOX15HSD17B10CTSDCNR2
SCHEMBL1643574 0.77 RECQL (0.55) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL27789892 0.77 CTSD (0.60) LMNAALOX15HSD17B10CTSDCNR2
SCHEMBL30570841 0.76 TSHR (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3818697 0.76 KDM4E (0.59) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL9270162 0.76 TSHR (0.64) ALDH1A1KDM4EMAPTMEN1KMT2A

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-20110098298-A1 New Pyridin-3-Amine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2011-04-28 — — US disclosed
US-7906530-B2 1,7-naphthyridine derivatives as p38 MAP kinase inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2011-03-15 — — US disclosed
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2010-09-09 — — US disclosed
EP-1987005-A2 NEW PYRIDIN-3-AMINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-11-05 — — EP disclosed
WO-2007096072-A2 NEW PYRIDIN-3-AMINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-30 — — 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-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 ALDH1A1 3124/4885KDM4E 2470/4885GLA 4310/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 ALDH1A1 2099/4885KDM4E 4589/4885GLA 3141/4885

“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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