SCHEMBL4840898

SCHEMBL4840898

NC(=O)c1cccc(C(=O)c2ccc(F)cc2)c1N

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.47
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.44
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
ADORA1 P30542 1/20 0.43
PTGS2 P35354 1/20 0.43
LTA4H P09960 1/20 0.42
PARP1 P09874 1/20 0.42
GAA P10253 1/20 0.42
MAPK14 Q16539 1/20 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
SCHEMBL7743794 0.84 MAPT (0.52) MAPTABCB11LMNAPTGS1ADORA1
SCHEMBL4929944 0.84 AGTR1 (0.54) AGTR1KDM4ENPC1ALDH1A1PKM
SCHEMBL5807536 0.84 MAPT (0.60) KDM4EALDH1A1MAPTABCB11LMNA
Hydrochloric Acid SCHEMBL27668320 0.82 MAPT (0.58) KDM4EALDH1A1MAPTABCB11LMNA
SCHEMBL8956729 0.81 KMT2A (0.44) ALDH1A1RAB9ASMN1; SMN2MAPTABCB11
SCHEMBL15608294 0.81 KDM4E (0.49) KDM4ENPC1RAB9AMAPTABCB11
SCHEMBL93569 0.80 ABCB11 (0.58) ABCB11LMNAPTGS1ADORA1PTGS2
SCHEMBL40536 0.79 ALDH1A1 (0.54) KDM4EALDH1A1MAPTPARP1GAA
SCHEMBL1754308 0.77 AKR1C3 (0.58) NPC1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL333734 0.77 MAPT (0.71) NPC1SMN1; SMN2MAPTLTA4HGAA

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-7345045-B2 Pyrido-pyrimidine compounds as medicaments SCIOS, INC. (US) 2008-03-18 US disclosed
EP-1107959-B1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC (US) 2006-10-11 EP disclosed
US-20050220784-A1 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-10-06 US disclosed
US-20050171123-A1 Quinazoline derivatives as medicaments SCIOS, INC. 2005-08-04 US disclosed
US-6903096-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2005-06-07 US disclosed
US-20030069248-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2003-04-10 US disclosed
US-6476031-B1 Quinazoline derivatives as medicaments SCIOS, INC. 2002-11-05 US disclosed
US-20020161010-A1 Quinazoline derivatives as medicaments CHAKRAVARTY SARVAJIT (US) 2002-10-31 US disclosed
US-6277989-B1 USEFUL IN TREATING CONDITIONS THAT ARE CHARACTERIZED BY ENHANCED P38 KINASE ACTIVITY AND/OR TRANSFORMING GROWTH FACTOR BETA (TGF-.BETA.) ACTIVITY SUCH AS INFLAMMATION, PROLIFERATIVE DISEASES, AND CERTAIN CARDIOVASCULAR DISORDERS SCIOS, INC. 2001-08-21 US disclosed
EP-1107959-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2001-06-20 EP disclosed
US-6184226-B1 ANTIINFLAMMATORY AGENTS FOR TREATMENT OF CARDIOVASCULAR SYSTEM DISORDERS/RESPIRATORY SYSTEM DISORDERS, ANTIISCHEMIC AGENTS SCIOS INC. 2001-02-06 US disclosed
WO-2000012497-A2 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS INC. (US) 2000-03-09 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 (4 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-20020161010-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 AGTR1 124/4885KDM4E 2990/4885NPC1 864/4885
US-20050171123-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 AGTR1 127/4885KDM4E 3469/4885NPC1 1233/4885
US-20030069248-A1 Quinazoline derivatives as medicaments SMAD3, SMAD2, TGFBR1 AGTR1 124/4885KDM4E 2990/4885NPC1 864/4885
US-20050220784-A1 Quinazoline derivatives as medicaments TGFBR2, SMAD2, ADRB2 AGTR1 127/4885KDM4E 3469/4885NPC1 1233/4885

“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.