SCHEMBL6494101

SCHEMBL6494101

COC(=O)C(CN)Nc1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HDAC6 Q9UBN7 4/20 0.38
KMT2A Q03164 3/20 0.38
HDAC1 Q13547 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
NPC1 O15118 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
P2RX7 Q99572 1/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34

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
Hydrochloric Acid SCHEMBL7215995 0.98 ALDH1A1 (0.40) ALDH1A1NPSR1LMNAHTTHDAC6
Hydrochloric Acid SCHEMBL7447537 0.98 ALDH1A1 (0.40) ALDH1A1NPSR1LMNAHTTHDAC6
SCHEMBL13606447 0.81 ALDH1A1 (0.40) ALDH1A1NPSR1LMNAHTTHDAC6
SCHEMBL19243702 0.75 ALDH1A1 (0.45) ALDH1A1NPSR1LMNAHTTKMT2A
SCHEMBL8166236 0.75 KMT2A (0.46) ALDH1A1LMNAKMT2AGAA
SCHEMBL6503512 0.74 SYK (0.41) ALDH1A1NPSR1LMNAKMT2ANPC1
SCHEMBL17090667 0.73 LMNA (0.42) ALDH1A1NPSR1LMNAHTTKMT2A
SCHEMBL28142676 0.72 SYK (0.47) ALDH1A1LMNAHTTKMT2ANPC1
SCHEMBL29482185 0.71 ANPEP (0.38) ALDH1A1HDAC6KMT2AHDAC1
SCHEMBL29482188 0.71 ANPEP (0.38) ALDH1A1HDAC6KMT2AHDAC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960594-B2 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer SHIRE BIOCHEM INC. (CA) 2005-11-01 US disclosed
EP-1091952-B1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER IAF BIOCHEM INT (CA) 2003-10-29 EP disclosed
US-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer BIOCHEM PHARMA INC. 2002-09-26 US disclosed
EP-1187825-A1 THIOPHENE INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2002-03-20 EP disclosed
US-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 US disclosed
EP-1091952-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC (CA) 2001-04-18 EP disclosed
WO-2000075129-A1 THIOPHENE INTEGRIN INHIBITORS SHIRE BIOCHEM INC. (CA) 2000-12-14 WO disclosed
WO-2000000486-A1 THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER BIOCHEM PHARMA INC. (US) 2000-01-06 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 (1 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-20020137947-A1 Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer ITGB5, ITGB2, ITGA2 ALDH1A1 1056/4885NPSR1 4057/4885LMNA 4365/4885

“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.