SCHEMBL4960504

SCHEMBL4960504

COC(=O)c1ccc2c(CNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)nn(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.38
▸ FGFR1 P11362 1/20 0.35
▸ JMJD6 Q6NYC1 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ F2 P00734 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KIF11 P52732 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
SCHEMBL14271520 0.92 SLC22A12 (0.36) ACSS2JMJD6ALDH1A1HPGDCSNK2A1
SCHEMBL28468125 0.71 LOXL2 (0.46) JMJD6ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL27272748 0.71 SLC22A12 (0.44) JMJD6ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL28473635 0.70 L3MBTL1 (0.46) ALDH1A1NPSR1SMN1; SMN2HPGDRAB9A
SCHEMBL7658563 0.70 ALDH1A1 (0.43) ACSS2FGFR1JMJD6ALDH1A1TSHR
SCHEMBL8682759 0.69 ITGB3 (0.40) ALDH1A1TSHRSMN1; SMN2HPGDDRD2
SCHEMBL28472884 0.69 TLR8 (0.41) ALDH1A1TSHRNPSR1SMN1; SMN2HPGD
SCHEMBL12372084 0.68 P2RX3 (0.42) ALDH1A1TSHRNPSR1SMN1; SMN2HPGD
SCHEMBL4388255 0.68 S1PR1 (0.40) NPC1RAB9APOLB
SCHEMBL2956818 0.68 FGFR1 (0.54) ACSS2FGFR1ALDH1A1TSHRNPSR1

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 15 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-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 — — US disclosed
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
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 — — 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
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 3584/4885FGFR1 1045/4885JMJD6 4487/4885
US-20050154185-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 ACSS2 2507/4885FGFR1 343/4885JMJD6 2745/4885

“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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