SCHEMBL3267958

SCHEMBL3267958

CCN(CC)C(=O)NNC(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
ABCC1 P33527 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
CA2 P00918 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ALDH2 P05091 1/20 0.32

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
SCHEMBL5470221 0.81 ALDH1A1 (0.42) CA12CA1CA9CA2CHRNB2
SCHEMBL4420293 0.78 CA12 (0.44) LMNAMMP1MMP2MMP3MMP8
SCHEMBL21680751 0.75 LMNA (0.37) LMNAMMP1MMP2MMP3MMP8
SCHEMBL7076403 0.75 ALDH1A1 (0.33) LMNAMMP1MMP2MMP3MMP8
SCHEMBL5480445 0.74
SCHEMBL6142485 0.74
SCHEMBL24690000 0.73
SCHEMBL15345878 0.73 ALDH1A1 (0.37) LMNACA12CA1CA9CA2
SCHEMBL20881557 0.72 KDM7A (0.39) LMNAMMP1MMP2MMP3MMP8
SCHEMBL6611368 0.71 CHRNB2 (0.35) MMP1MMP2MMP3MMP8CHRNB2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197879-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2010-06-23 EP claimed
WO-2009051580-A1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS, INC. (US) 2009-04-23 WO claimed
US-20090099224-A1 C7- substituted camptothecin analogs BIONUMERIK PHARMACEUTICALS, INC. 2009-04-16 US claimed
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
EP-1222175-B1 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES CELLTECH R&D LTD (GB) 2005-12-14 EP disclosed
US-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2005-08-04 US disclosed
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines CELLTECH R&D LIMITED 2004-11-25 US disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6600037-B1 The compounds are selective KDR kinase and/or FGFr kinase inhibitors and are of use in the prophylaxis and treatment of disease states associated with angiogenesis. CELLTECH R & D LIMITED (GB) 2003-07-29 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
US-6337335-B1 ENZYME INHIBITORS FOR AUTOIMMUNE DISEASES, TRANSPLANT REJECTION, GRANT VERSUS HOST DISEASE, HYPERPROLIFERATIVE DISORDERS AND DISEASES IN WHICH CELLS RECEIVE PRO-INFLAMMATORY SIGNALS. CELLTECH THERAPEUTICS LIMITED (GB) 2002-01-08 US disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
WO-2001029009-A1 4,5-DISUBSTITUTED-2-AMINOPYRIMIDINES CELLTECH R&D LIMITED (GB) 2001-04-26 WO disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO disclosed
US-6048866-A Substituted 2-anilinopryimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS, LIMITED (GB) 2000-04-11 US disclosed
EP-0970056-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-01-12 EP disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
WO-1998041512-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-24 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-20050171134-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FLT4, FGFR1 LMNA 4620/4885MMP1 3070/4885MMP2 4406/4885
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR LMNA 4343/4885MMP1 2487/4885MMP2 3741/4885
US-20040235876-A1 4,5-Disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 LMNA 4385/4885MMP1 3231/4885MMP2 4195/4885
US-20090099224-A1 C7- substituted camptothecin analogs ABCB1, ABCC1, ABCG2 LMNA 1725/4885MMP1 2452/4885MMP2 156/4885

“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.