SCHEMBL327090

SCHEMBL327090

O=C(Nc1ccccc1)c1cnc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.73
MGAM O43451 1/20 0.66
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 3/20 0.62
MITF O75030 1/20 0.62
XBP1 P17861 1/20 0.62
PAX8 Q06710 1/20 0.62
KLF5 Q13887 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.60
TRPV1 Q8NER1 2/20 0.59
BCAT1 P54687 1/20 0.59
HDAC3 O15379 3/20 0.58
HDAC4 P56524 3/20 0.58
HDAC1 Q13547 3/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC2 Q92769 3/20 0.58
HDAC10 Q969S8 3/20 0.58
HDAC11 Q96DB2 3/20 0.58

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
SCHEMBL30958690 1.00 KDR (0.73) KDRMGAMNPC1RAB9AALDH1A1
SCHEMBL22588452 0.91 MGAM (0.68) KDRMGAMNPC1RAB9AALDH1A1
SCHEMBL30643077 0.89 KDR (0.67) KDRMGAMNPC1RAB9AALDH1A1
SCHEMBL21446738 0.87 NPC1 (0.66) KDRMGAMNPC1RAB9AALDH1A1
SCHEMBL6791314 0.86 KDR (0.59) KDRMGAMNPC1RAB9AALDH1A1
SCHEMBL22588431 0.86 KDR (0.63) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL21446741 0.85 KDR (0.61) KDRMGAMNPC1RAB9AALDH1A1
SCHEMBL21446739 0.85 NPC1 (0.60) KDRNPC1RAB9AALDH1A1KDM4E
SCHEMBL31306411 0.85 BCAT1 (0.64) KDRMGAMNPC1RAB9AALDH1A1
SCHEMBL995474 0.84 KDR (1.00) KDRNPC1RAB9AALDH1A1KDM4E

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-20230167064-A1 TREATMENTS OF INFLAMMATORY BOWEL DISEASE AQILION AB (SE) 2023-06-01 US disclosed
US-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 US disclosed
WO-2019195430-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UAB RESEARCH FOUNDATION (US) 2019-10-10 WO disclosed
EP-2590949-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES Active Biotech AB (SE) 2013-05-15 EP disclosed
WO-2012004338-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES ACTIVE BIOTECH AB (SE) 2012-01-12 WO disclosed
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed
EP-0825186-B1 2-Aminobenzazepine derivatives and their use for the treatment of immunosuppression PFIZER (US) 2002-04-17 EP disclosed
EP-0429627-B1 DERIVATIVES OF QUINOLINE-3-CARBOXANILIDE PHARMACIA AB REG NUMBER 556131 (SE) 1995-09-13 EP disclosed
US-5310913-A Immunomodulators KABI PHARMACIA AKTIEBOLAG (SE) 1994-05-10 US disclosed
US-5310913-A Immunomodulators KABI PHARMACIA AKTIEBOLAG (SE) 1994-05-10 US disclosed
EP-0429627-A1 DERIVATIVES OF QUINOLINE-3-CARBOXANILIDE. PHARMACIA AB (SE) 1991-06-05 EP disclosed
WO-1990015052-A1 DERIVATIVES OF QUINOLINE-3-CARBOXANILIDE PHARMACIA AB (SE) 1990-12-13 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-20210115007-A1 STREPTOCOCCUS MUTANS GLUCOSYL TRANSFERASE INHIBITORS FOR DENTAL CARIES THERAPY UGGT1, UGCG, GLA KDR 4832/4885MGAM 4/4885NPC1 649/4885
US-20230167064-A1 TREATMENTS OF INFLAMMATORY BOWEL DISEASE SLC10A2, SI, ALPI KDR 4819/4885MGAM 466/4885NPC1 504/4885

“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.