SCHEMBL177830

SCHEMBL177830

Nc1ccc(C(=O)c2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
LTA4H P09960 1/20 0.63
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.55
MAPT P10636 2/20 0.52
CYP2D6 P10635 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CHRM1 P11229 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
KCNA1 Q09470 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.51
HTT P42858 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
HPGD P15428 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 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
SCHEMBL725064 0.85 KMT2A (0.80) LMNALTA4HKMT2AMEN1L3MBTL1
SCHEMBL9097535 0.85 CA12 (0.59) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL62657 0.85 CA12 (0.59) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL204877 0.85 CA12 (0.59) LMNAKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL28795867 0.83 KMT2A (0.76) LMNALTA4HKMT2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL8640288 0.83 CA12 (0.57) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL4190482 0.82 LMNA (0.63) LMNALTA4HKMT2AMEN1L3MBTL1
SCHEMBL11714308 0.79 LMNA (0.55) LMNALTA4HKMT2AMEN1L3MBTL1
SCHEMBL3522195 0.79 LMNA (0.71) LMNALTA4HKMT2AMEN1L3MBTL1
SCHEMBL18906029 0.79 NAPRT (0.81) LMNALTA4HKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
CN-114144410-A Polyarylurea derivatives and their use in the treatment of muscular diseases 阿纳格纳斯生物技术股份有限公司 2022-03-04 CN disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
US-20180016240-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS XCOVERY HOLDINGS, INC. 2018-01-18 US disclosed
US-20180016240-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS XCOVERY HOLDINGS, INC. 2018-01-18 US disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
EP-2625176-B1 SUBSTITUTUTED 6-AMINO-PYRIDAZIN-3-YL-CARBOXAMIDE COMPOUNDS AS PROTEIN KINASE MODULATORS XCOVERY HOLDING CO LLC (US) 2016-08-17 EP disclosed
US-20160068493-A1 SUBSTITUTED PYRIDAZINE CARBOXIMIDE COMPOUNDS XCOVERY HOLDINGS, INC. 2016-03-10 US disclosed
US-20160068493-A1 SUBSTITUTED PYRIDAZINE CARBOXIMIDE COMPOUNDS XCOVERY HOLDINGS, INC. 2016-03-10 US disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BAYER HEALTHCARE LLC 2006-01-26 US disclosed
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US disclosed
EP-1379507-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS Bayer Corporation (US) 2004-01-14 EP disclosed
EP-1379505-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS Bayer Corporation (US) 2004-01-14 EP disclosed
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION 2003-11-06 US disclosed
WO-2002085859-A1 HETEROARYL UREAS CONTAINING NITROGEN HETERO-ATOMS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-31 WO disclosed
WO-2002085857-A2 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-10-31 WO disclosed
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors BAYER CORPORATION 2002-05-30 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 (6 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-20180016240-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS ALK, MAP4K2, MAP3K15 LMNA 3584/4885LTA4H 3394/4885KMT2A 290/4885
US-20060019990-A1 Inhibition of RAF kinase using quinolyl, isoquinolyl or pyridyl ureas BRAF, RAF1, ARAF LMNA 2538/4885LTA4H 3649/4885KMT2A 2313/4885
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 LMNA 1497/4885LTA4H 828/4885KMT2A 4128/4885
US-20030207914-A1 INHIBITION OF RAF KINASE USING QUINOLYL, ISOQUINOLYL OR PYRIDYL UREAS BRAF, RAF1, ARAF LMNA 2542/4885LTA4H 3690/4885KMT2A 2204/4885
US-20020065296-A1 Heteroaryl ureas containing nitrogen hetero-atoms as p38 kinase inhibitors MAPK1, MAP3K1, MAPK3 LMNA 3261/4885LTA4H 4250/4885KMT2A 3163/4885
US-20160068493-A1 SUBSTITUTED PYRIDAZINE CARBOXIMIDE COMPOUNDS ALK, MAP4K2, MAP3K15 LMNA 3723/4885LTA4H 3702/4885KMT2A 443/4885

“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.