SCHEMBL4959990

SCHEMBL4959990

O=C(O)c1ccc2c(cnn2C#CCNc2nc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 2/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ AR P10275 2/20 0.32
▸ ITGB3 P05106 3/20 0.32
▸ ITGAV P06756 3/20 0.32
▸ ITGA2B P08514 3/20 0.32
▸ PLA2G4A P47712 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ TNKS O95271 1/20 0.30
▸ TNKS2 Q9H2K2 1/20 0.30
▸ VNN1 O95497 1/20 0.30
▸ CSNK2A2 P19784 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ TRPM8 Q7Z2W7 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL4959983 0.76 ACSS2 (0.33) ACSS2ESR1HSD17B10ARPLA2G4A
SCHEMBL27604788 0.65 HSD17B10 (0.41) ACSS2HSD17B10AURKAKDM4EALDH1A1
SCHEMBL30159516 0.61 MAOB (0.56) ESR1ARTNKSTNKS2VNN1
SCHEMBL1144709 0.61 MAOB (0.56) ESR1ARTNKSTNKS2VNN1
SCHEMBL2610311 0.61 MGLL (0.57) HSD17B10HPGD
SCHEMBL3438334 0.61 HCAR3 (0.56) PLA2G4AKDM4ETRPM8ALDH1A1HPGD
SCHEMBL25412409 0.60 RECQL (0.60) PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL30614221 0.60 RECQL (0.60) PLA2G4AKDM4EALDH1A1HPGD
SCHEMBL15185681 0.60 HCAR3 (0.42) HSD17B10PLA2G4AKDM4EHPGD
SCHEMBL8356173 0.59 CHEK1 (0.65) HSD17B10PLA2G4AAURKAKDM4EHPGD

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-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 — — US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 — — US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 — — EP disclosed
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-07-14 — — US disclosed
US-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 — — US disclosed
US-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT LANTHEUS MEDICAL IMAGING, INC. 2004-10-21 — — US disclosed
US-6794518-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 — — US disclosed
EP-1296678-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 — — EP disclosed
WO-2001098294-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS FOR USE IN COMBINATION THERAPY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 — — WO disclosed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 — — US disclosed
EP-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 — — 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-20040208823-A1 SIMULTANEOUS IMAGING OF CARDIAC PERFUSION AND A VITRONECTIN RECEPTOR TARGETED IMAGING AGENT TNNI3, ASGR1, TNNT2 ACSS2 3584/4885ESR1 2805/4885HSD17B10 4736/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ACSS2 2507/4885ESR1 2144/4885HSD17B10 3960/4885

“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.

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