SCHEMBL4190482

SCHEMBL4190482

NC(=O)c1ccc(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 3/20 0.61
MEN1 O00255 1/20 0.61
CYP17A1 P05093 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
CHEK2 O96017 2/20 0.53
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NAPRT Q6XQN6 1/20 0.50
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MPO P05164 1/20 0.48
CYP1A2 P05177 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 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
SCHEMBL8582840 0.91 NAPRT (0.59) LMNALTA4HKMT2AMEN1CYP17A1
SCHEMBL44995 0.91
Arsenic SCHEMBL27830690 0.88 CYP17A1 (0.57) LMNALTA4HKMT2AMEN1CYP17A1
SCHEMBL28382890 0.88 CYP17A1 (0.57) LMNALTA4HKMT2AMEN1CYP17A1
SCHEMBL27649799 0.88
Hydrochloric Acid SCHEMBL28802361 0.88 CYP17A1 (0.57) LMNALTA4HKMT2AMEN1CYP17A1
Hydrochloric Acid SCHEMBL5710616 0.88 CYP17A1 (0.57) LMNALTA4HKMT2AMEN1CYP17A1
Hydrochloric Acid SCHEMBL1666770 0.88 CYP17A1 (0.57) LMNALTA4HKMT2AMEN1CYP17A1
Water SCHEMBL31094001 0.88 CYP17A1 (0.57) LMNALTA4HKMT2AMEN1CYP17A1
Formaldehyde SCHEMBL29045130 0.86 CYP17A1 (0.55) LMNALTA4HKMT2AMEN1CYP17A1

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 16 patents. 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
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20090023735-A1 Sulphonamide Derivatives BIOTIE THERAPIES CORP. (FI) 2009-01-22 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1924554-A1 SULPHONAMIDE DERIVATIVES Biotie Therapies Corp. (FI) 2008-05-28 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2007034035-A1 SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2007-03-29 WO disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 LMNA 4213/4885LTA4H 1160/4885KMT2A 4657/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 LMNA 4213/4885LTA4H 1160/4885KMT2A 4657/4885
US-20090023735-A1 Sulphonamide Derivatives HCAR1, ADGRE5, ALK LMNA 1673/4885LTA4H 444/4885KMT2A 2643/4885

“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.