SCHEMBL1644026

SCHEMBL1644026

CC(C)(C)C(=O)Nc1cnccc1C(=O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
CYP11B2 P19099 1/20 0.45
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
KDM4C Q9H3R0 3/20 0.43
KDM4D Q6B0I6 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KLF5 Q13887 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
CETP P11597 1/20 0.40
KDM6B O15054 1/20 0.40

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
SCHEMBL1643694 0.84 HPGD (0.40) TSHRMEN1KMT2ARAB9AKDM4E
SCHEMBL1643182 0.83 KDM4C (0.56) TSHRMEN1KMT2ARAB9AKDM4C
SCHEMBL1643811 0.82 TSHR (0.49) TSHRMEN1KMT2ARAB9AKDM4C
SCHEMBL6634909 0.79 MEN1 (0.54) TSHRMEN1KMT2ARAB9AKDM4E
SCHEMBL16367860 0.78 RAB9A (0.46) TSHRMEN1KMT2ARAB9AKDM4E
SCHEMBL18421178 0.76 TSHR (0.49) TSHRRAB9AKDM4CKDM4DKDM4E
SCHEMBL1643403 0.75 NT5E (0.47) TSHRMEN1KMT2ARAB9AKDM4C
SCHEMBL1643097 0.75 TSHR (0.41) TSHRKMT2ARAB9AKDM4CKDM4E
SCHEMBL1642398 0.75 TSHR (0.44) TSHRMEN1KMT2ARAB9AKDM4E
SCHEMBL16367868 0.75 KMT2A (0.44) TSHRMEN1KMT2ARAB9AKDM4E

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-8334294-B2 4,8-diphenyl-polyazanaphthalene derivatives ALMIRALL, S.A. (ES) 2012-12-18 US disclosed
EP-2146988-B1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL SA (ES) 2012-08-15 EP disclosed
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
US-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2010-05-27 US disclosed
EP-2146988-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES Almirall, S.A. (ES) 2010-01-27 EP disclosed
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 EP disclosed
WO-2008131922-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES ALMIRALL, S.A. (ES) 2008-11-06 WO disclosed
EP-1987005-A2 NEW PYRIDIN-3-AMINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-11-05 EP disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 WO 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 (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-20100130517-A1 NEW 4,8-DIPHENYL-POLYAZANAPHTHALENE DERIVATIVES MAPK8, MAPK4, MAP3K8 TSHR 4381/4885MEN1 4761/4885KMT2A 3654/4885
US-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 TSHR 2942/4885MEN1 3190/4885KMT2A 2699/4885
US-20100227881-A1 1,7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 TSHR 4026/4885MEN1 4535/4885KMT2A 4332/4885

“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.