SCHEMBL6180926

SCHEMBL6180926

CN(Cc1ccccc1-c1cnc(Nc2ccccc2)o1)C(=O)CN

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.46
FLT4 P35916 5/20 0.46
KDR P35968 5/20 0.46
IMPDH2 P12268 12/20 0.44
VCP P55072 2/20 0.44
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6179818 0.92 IMPDH2 (0.45) IMPDH2VCP
SCHEMBL6182918 0.91 AOC3 (0.46) IMPDH2VCP
SCHEMBL6196662 0.91 IMPDH2 (0.43) FLT1FLT4KDRIMPDH2VCP
SCHEMBL6179950 0.91 IMPDH2 (0.43) FLT1FLT4KDRIMPDH2VCP
SCHEMBL6179213 0.90 VCP (0.49) FLT1FLT4KDRIMPDH2VCP
SCHEMBL6181196 0.90 IMPDH2 (0.43) FLT1FLT4KDRIMPDH2VCP
SCHEMBL6178966 0.89 DGAT1 (0.48) FLT1FLT4KDRIMPDH2VCP
SCHEMBL6180072 0.89 VCP (0.46) IMPDH2VCPALDH1A1
SCHEMBL6179572 0.89 IMPDH2 (0.47) FLT1FLT4KDRIMPDH2VCP
SCHEMBL6177740 0.88 IMPDH2 (0.44) FLT1FLT4KDRIMPDH2VCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448187-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2005-05-25 EP claimed
EP-1448187-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-08-25 EP claimed
US-6596747-B2 For therapy of diseases associdated with Factor VIIa and or inosine monophosphate dehydrogenase (IMPDH) BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US claimed
WO-2003047512-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO claimed
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US claimed
US-6596747-B2 For therapy of diseases associdated with Factor VIIa and or inosine monophosphate dehydrogenase (IMPDH) BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 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 (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-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same IMPDH1, IMPDH2, IMPA1 FLT1 3002/4885FLT4 4018/4885KDR 3754/4885

“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.